SCHEMBL695073

SCHEMBL695073

Cc1ccc(CNC2CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
HBB P68871 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX7 Q99572 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11787110 0.93 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTMEN1GAA
SCHEMBL23545671 0.85 TAAR1 (0.44) ALDH1A1KDM4EMAPTMEN1GAA
SCHEMBL27790129 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMEN1USP2
SCHEMBL5736421 0.82 CYP1A2 (0.43) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL13137123 0.82 OPRM1 (0.47) ALDH1A1KDM4EMAPTMEN1USP2
SCHEMBL14036805 0.81 MEN1 (0.40) KDM4EMEN1GAAKMT2ARAB9A
Hydrochloric Acid SCHEMBL10446825 0.80 OPRM1 (0.46) ALDH1A1KDM4EMAPTMEN1USP2
SCHEMBL13262996 0.80 KDM1A (0.59) ALDH1A1KDM4EMEN1GAACASP1
SCHEMBL23545638 0.80 CYP1A2 (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30471887 0.80 CYP1A2 (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635551-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AG (DE) 2018-05-02 EP disclosed
CN-103402970-B Process for the preparation of substituted n-(benzyl)cyclopropanamines by imine hydrogenation 拜耳知识产权有限责任公司 2017-02-15 CN disclosed
US-9260378-B2 Process for the preparation of substituted N-(benzyl)cyclopropanamines by imine hydrogenation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
US-9260378-B2 Process for the preparation of substituted N-(benzyl)cyclopropanamines by imine hydrogenation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
US-9260378-B2 Process for the preparation of substituted N-(benzyl)cyclopropanamines by imine hydrogenation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
EP-2635551-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION Bayer Cropscience AG (DE) 2013-09-11 EP disclosed
US-20130217910-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2013-08-22 US disclosed
US-20130217910-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2013-08-22 US disclosed
US-20130217910-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2013-08-22 US disclosed
WO-2012059585-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AG (DE) 2012-05-10 WO disclosed
WO-2012059585-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION BAYER CROPSCIENCE AG (DE) 2012-05-10 WO disclosed
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
EP-1761509-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-14 EP disclosed
WO-2005111002-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO 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 (2 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 ALDH1A1 1307/4885KDM4E 4001/4885MAPT 202/4885
US-20130217910-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED N-(BENZYL)CYCLOPROPANAMINES BY IMINE HYDROGENATION DHPS, PNMT, INMT ALDH1A1 648/4885KDM4E 2087/4885MAPT 3956/4885

“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.