SCHEMBL681676

SCHEMBL681676

CC(C)(C)N1CCN(CCCO)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 4/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.33
PAOX Q6QHF9 1/20 0.33
PIM1 P11309 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL679609 0.86 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL6658878 0.86 HRH3 (0.36) ALDH1A1LMNAGAAHTTPAOX
SCHEMBL6659624 0.86 HRH3 (0.42) PAOXHRH3ALOX15
SCHEMBL21934600 0.86 HRH3 (0.36) ALDH1A1LMNAGAAHTTPAOX
SCHEMBL6662182 0.84 HRH3 (0.46) PAOXHRH3
SCHEMBL9611073 0.81 ALOX15 (0.36) ALDH1A1KDM4ESMN1; SMN2ALOX15
SCHEMBL6656278 0.81 ALOX15 (0.36) ALDH1A1KDM4ESMN1; SMN2ALOX15
SCHEMBL972563 0.81 KDM4E (0.46) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1616084 0.81
SCHEMBL10294010 0.80 HTR1A (0.48) KMT2AMEN1ALDH1A1KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed
US-20220220069-A1 COMPOUND USED AS SIRT6 SMALL-MOLECULE ALLOSTERIC ACTIVATOR AND PHARMACEUTICAL COMPOSITION THEREOF SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2022-07-14 US disclosed
EP-3841100-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES Arvinas Operations, Inc. (US) 2021-06-30 EP disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 WO disclosed
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 US disclosed
US-10245261-B2 Substituted indol-5-ol derivatives and their therapeutic applications NANTBIO, INC. (US) 2019-04-02 US disclosed
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-12 US disclosed
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC 2018-07-26 US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-20120202818-A1 UREIDOPHENYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-08-09 US disclosed
US-20120196860-A1 Triazine derivatives and their therapeutical applications CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-08-02 US disclosed
EP-2475649-A1 INDENONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-07-18 EP disclosed
US-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-12 US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2011-06-23 US disclosed
WO-2011030955-A1 INDENONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-03-17 WO disclosed
US-7858782-B2 Triazine derivatives and their therapeutical applications ABRAXIS BIOSCIENCE, LLC (US) 2010-12-28 US disclosed
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders ABRAXIS BIOSCIENCE, INC. (US) 2008-07-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220220069-A1 COMPOUND USED AS SIRT6 SMALL-MOLECULE ALLOSTERIC ACTIVATOR AND PHARMACEUTICAL COMPOSITION THEREOF SIRT6, SIRT1, SIRT7 KMT2A 158/4885MEN1 2009/4885ALDH1A1 2446/4885
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 KMT2A 2489/4885MEN1 3723/4885ALDH1A1 213/4885
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 KMT2A 585/4885MEN1 1979/4885ALDH1A1 729/4885
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 KMT2A 1241/4885MEN1 3304/4885ALDH1A1 3990/4885
US-10245261-B2 Substituted indol-5-ol derivatives and their therapeutic applications GRK5, GRK3, CDK5 KMT2A 2312/4885MEN1 3843/4885ALDH1A1 2582/4885
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors IRAK4, IRAK1, IRAK3 KMT2A 1241/4885MEN1 3304/4885ALDH1A1 3990/4885
US-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS STK25, STK35, SGK2 KMT2A 1102/4885MEN1 4391/4885ALDH1A1 3351/4885
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS TPMT, MKI67, TST KMT2A 3192/4885MEN1 1876/4885ALDH1A1 325/4885
US-20120196860-A1 Triazine derivatives and their therapeutical applications MAP3K2, MAP3K5, MAP4K2 KMT2A 1227/4885MEN1 4490/4885ALDH1A1 3921/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 KMT2A 1279/4885MEN1 1612/4885ALDH1A1 3979/4885
US-20110150763-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS BAZ2A, CAMKK2, BAZ1A KMT2A 1241/4885MEN1 4476/4885ALDH1A1 3429/4885
US-20120202818-A1 UREIDOPHENYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS UCK2, ULK2, ULK1 KMT2A 1883/4885MEN1 4367/4885ALDH1A1 3580/4885
US-20080176853-A1 e.g. N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide; protein (tyrosine and serine/threonine) kinase inhibitor; variety of conditions and diseases; antiproliferative, anticarcinogenic, antiinflammatory, antiallergenic agent; autoimmune and neurodegenerative disorders MAP3K15, DSTYK, STK25 KMT2A 790/4885MEN1 2868/4885ALDH1A1 4099/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.