SCHEMBL10128592

SCHEMBL10128592

CC(C)N1CCC2(CCN(C)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.38
USP2 O75604 2/20 0.37
HRH3 Q9Y5N1 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 3/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 4/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
CHRNA7 P36544 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14768708 0.92 USP2 (0.44) CYP2D6USP2HRH3CYP1A2CYP3A4
SCHEMBL10128467 0.90 USP2 (0.49) CYP2D6USP2HRH3CYP1A2CYP3A4
SCHEMBL10094137 0.89 CYP3A4 (0.34) CYP2D6USP2HRH3CYP1A2CYP3A4
SCHEMBL10128466 0.88 CYP2D6 (0.39) CYP2D6USP2HRH3CHRNA7KDM4E
SCHEMBL18705141 0.86 USP2 (0.33) CYP2D6USP2CYP1A2CYP3A4TSHR
SCHEMBL12049973 0.86 CYP2D6 (0.34) CYP2D6USP2HRH3TSHR
SCHEMBL11947828 0.86 CYP2D6 (0.41) CYP2D6HRH3CYP1A2TSHRCHRNA7
SCHEMBL10111446 0.83 CYP2D6 (0.42) CYP2D6HRH3CHRNA7KDM4EMEN1
SCHEMBL10254933 0.82 CYP2D6 (0.34) CYP2D6USP2
SCHEMBL10111445 0.80 CYP2D6 (0.46) CYP2D6USP2HRH3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 US disclosed
US-11773068-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 US disclosed
US-20230219979-A1 PYRAZOLO[1,5-a]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHENZHEN ZHONGGE BIOLOGICAL TECHNOLOGY CO., LTD. (CN) 2023-07-13 US disclosed
US-20230219979-A1 PYRAZOLO[1,5-a]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHENZHEN ZHONGGE BIOLOGICAL TECHNOLOGY CO., LTD. (CN) 2023-07-13 US disclosed
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed
WO-2023096995-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-06-01 WO disclosed
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20160145263-A1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-05-26 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP disclosed
US-20140303137-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-09 US disclosed
US-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives Centro Nacional de Investigaceiones Oncologicas (CNIO) (ES) 2013-03-14 US disclosed
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 US disclosed
US-20110060013-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110046104-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-24 US disclosed
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 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 (14 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 CYP2D6 74/4885USP2 3091/4885HRH3 253/4885
US-20110046104-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CYP2D6 2839/4885USP2 3421/4885HRH3 2838/4885
US-20230219979-A1 PYRAZOLO[1,5-a]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF RET, GRK4, RIN1 CYP2D6 3101/4885USP2 4828/4885HRH3 1429/4885
US-20140303137-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CYP2D6 2839/4885USP2 3421/4885HRH3 2838/4885
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS CYP2D6 1861/4885USP2 2282/4885HRH3 1107/4885
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN CYP2D6 942/4885USP2 4542/4885HRH3 4687/4885
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CYP2D6 2839/4885USP2 3421/4885HRH3 2838/4885
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS CYP2D6 3961/4885USP2 162/4885HRH3 3236/4885
US-20110060013-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CYP2D6 3594/4885USP2 3709/4885HRH3 3019/4885
US-11773068-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A CYP2D6 4444/4885USP2 320/4885HRH3 1345/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS CYP2D6 1040/4885USP2 3127/4885HRH3 1494/4885
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS STAT1, STAT3, STAT5A CYP2D6 1475/4885USP2 627/4885HRH3 3722/4885
US-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives PIM1, PIM3, PIM2 CYP2D6 1232/4885USP2 4138/4885HRH3 1523/4885
US-20160145263-A1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS TFPI2, TFPI, F12 CYP2D6 2712/4885USP2 2085/4885HRH3 585/4885

“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.