SCHEMBL2290857

SCHEMBL2290857

COC(=O)c1ccc(CNCCc2ccccc2OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.60
MPO P05164 2/20 0.59
KMT2A Q03164 5/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TAAR1 Q96RJ0 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
NPY1R P25929 1/20 0.55
HTT P42858 1/20 0.55
NPY2R P49146 1/20 0.55
MEN1 O00255 2/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HDAC1 Q13547 1/20 0.53
ADRB2 P07550 1/20 0.52
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.50

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
SCHEMBL2985236 0.86 HTR2A (0.58) KMT2AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2990491 0.85 MPO (0.64) MPOKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL10397850 0.85 ALDH1A1 (0.56) KMT2AALDH1A1TAAR1SMN1; SMN2LMNA
Bromide SCHEMBL2289765 0.84 MPO (0.62) MPOKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL2293341 0.84 BCHE (0.55) BCHEKMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL2987073 0.84 BCHE (0.57) BCHEKMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL2990758 0.84 S1PR1 (0.51) BCHEKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4859974 0.83 BCHE (0.77) BCHEMPOKMT2AKDM4EALDH1A1
SCHEMBL2985067 0.83 BCHE (0.51) BCHEKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4933368 0.82 MEN1 (0.68) BCHEKMT2AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-20050288366-A1 Novel aminodicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-12-29 US disclosed
US-6939989-B2 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-6939990-B2 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
EP-1216225-B1 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-07-06 EP disclosed
US-20040110840-A1 Novel derivatives of dicarboxylic acid having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-06-10 US disclosed
US-20040082658-A1 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 US disclosed
EP-1216225-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019780-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 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 (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-20040082658-A1 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BCAT2, BCAT1, AADAT BCHE 2379/4885MPO 2460/4885KMT2A 1809/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS BCHE 2440/4885MPO 2691/4885KMT2A 3700/4885
US-20040110840-A1 Novel derivatives of dicarboxylic acid having pharmaceutical properties SDHA, GOT2, MDH2 BCHE 3459/4885MPO 3831/4885KMT2A 3474/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS BCHE 2440/4885MPO 2691/4885KMT2A 3700/4885
US-20050288366-A1 Novel aminodicarboxylic acid derivatives DDC, DAO, AADAT BCHE 3100/4885MPO 2165/4885KMT2A 2903/4885

“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.