SCHEMBL8726331

SCHEMBL8726331

Cc1ccc(N2CCC(N(C)C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
CYP2D6 P10635 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
L3MBTL3 Q96JM7 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EED O75530 1/20 0.43

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
SCHEMBL14450799 0.89 MCHR1 (0.49) ADRB1CYP2D6HRH1KCNH2RORC
SCHEMBL27389111 0.89 MCHR1 (0.49) ADRB1CYP2D6HRH1KCNH2RORC
SCHEMBL14924424 0.89 MCHR1 (0.49) ADRB1CYP2D6HRH1KCNH2RORC
SCHEMBL8726329 0.83 L3MBTL3 (0.42) KCNH2L3MBTL3MAPTL3MBTL1ALDH1A1
SCHEMBL22837830 0.83 HTR2A (0.43) KCNH2L3MBTL3MAPTL3MBTL1ALDH1A1
SCHEMBL578309 0.83 NPY5R (0.49) L3MBTL3L3MBTL1USP2EEDRORC
SCHEMBL1409679 0.83 MAPT (0.53) L3MBTL3MAPTL3MBTL1ALDH1A1USP2
SCHEMBL5539933 0.83 KDM4E (0.49) L3MBTL3MAPTL3MBTL1ALDH1A1USP2
SCHEMBL5539924 0.83 L3MBTL3 (0.46) L3MBTL3L3MBTL1USP2EEDRORC
SCHEMBL21447979 0.82 L3MBTL3 (0.52) ADRB1L3MBTL3L3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP disclosed
EP-3838898-B1 ISOINDOLIN-1-ONE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS AN EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-06-07 EP disclosed
WO-2022236253-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2022-11-10 WO disclosed
WO-2022236256-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2022-11-10 WO disclosed
WO-2022146201-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS JOINT STOCK COMPANY "BIOCAD" (RU) 2022-07-07 WO disclosed
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 EP disclosed
WO-2021254389-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2021-12-23 WO disclosed
EP-3838898-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER Korea Research Institute of Chemical Technology (KR) 2021-06-23 EP disclosed
US-20170002013-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 US disclosed
WO-2017004408-A1 SUBSTITUTED 4-METHYL-PYRROLO[1.2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 WO disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-9346801-B2 Substituted 7-oxo-pyrido[2,3-d]pyrimidines and methods of use AMGEN INC. (US) 2016-05-24 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20140249131-A1 Substituted 7-Oxo-Pyrido[2,3-d]Pyrimidines and Methods of Use AMGEN INC. 2014-09-04 US disclosed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP 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 (5 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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN ADRB1 4531/4885CYP2D6 4459/4885HRH1 1862/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ADRB1 2672/4885CYP2D6 1266/4885HRH1 1197/4885
US-20170002013-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 ADRB1 4005/4885CYP2D6 1858/4885HRH1 2582/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 ADRB1 4512/4885CYP2D6 4505/4885HRH1 1956/4885
US-20140249131-A1 Substituted 7-Oxo-Pyrido[2,3-d]Pyrimidines and Methods of Use DPYD, TYMP, TYMS ADRB1 3177/4885CYP2D6 22/4885HRH1 3160/4885

“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.