SCHEMBL4072905

SCHEMBL4072905

CC(=O)N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL3 Q96JM7 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.46
HRH3 Q9Y5N1 3/20 0.41
KCNH2 Q12809 2/20 0.41
ACACB O00763 4/20 0.40
ACACA Q13085 4/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACHE P22303 1/20 0.39
MTNR1B P49286 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL23269622 0.98 CYP1A2 (0.59) CYP1A2TDP1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL8136294 0.92 CYP1A2 (0.61) CYP1A2TDP1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL15508283 0.87 CYP1A2 (0.52) CYP1A2TDP1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL27717811 0.86 L3MBTL3 (0.57) CYP1A2TDP1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL21610969 0.85 CYP1A2 (0.53) CYP1A2TDP1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL1464487 0.84 L3MBTL3 (0.55) CYP1A2TDP1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL4550241 0.83 POLB (0.50) CYP1A2TDP1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL13088446 0.83 POLB (0.55) CYP1A2TDP1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL4706209 0.82 ACACB (0.44) CYP1A2TDP1L3MBTL3L3MBTL1ACACB
SCHEMBL1732383 0.82 L3MBTL3 (0.54) CYP1A2TDP1L3MBTL3L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661422-A Synthesis method of 1- (1-methylpiperidine-4-yl) piperazine tri-hydrochloride 白银京宇新药业有限公司 2025-03-21 CN claimed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP claimed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO claimed
CN-119661422-A Synthesis method of 1- (1-methylpiperidine-4-yl) piperazine tri-hydrochloride 白银京宇新药业有限公司 2025-03-21 CN disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
WO-2022268052-A9 (R) -GLUTARIMIDE CRBN LIGANDS AND METHODS OF USE BEIGENE, LTD. (KY) 2023-08-17 WO disclosed
WO-2023083330-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 百极优棠(广东)医药科技有限公司 2023-05-19 WO disclosed
WO-2022078470-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2022-04-21 WO disclosed
WO-2022012623-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed
WO-2021104441-A1 POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR 江苏先声药业有限公司 2021-06-03 WO disclosed
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-07-30 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
WO-2017076355-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2017-05-11 WO disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 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 (7 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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CYP1A2 3732/4885TDP1 2009/4885L3MBTL3 4709/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CYP1A2 3953/4885TDP1 2392/4885L3MBTL3 4049/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CYP1A2 4160/4885TDP1 2783/4885L3MBTL3 4164/4885
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME CXCR4, CXCL12, CXCR1 CYP1A2 2440/4885TDP1 4045/4885L3MBTL3 4642/4885
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CYP1A2 1145/4885TDP1 1569/4885L3MBTL3 4615/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CYP1A2 3732/4885TDP1 2009/4885L3MBTL3 4709/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CYP1A2 3732/4885TDP1 2009/4885L3MBTL3 4709/4885

“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.