SCHEMBL662433

SCHEMBL662433

CCOC(=O)c1ccc(-c2cncc(NC(=O)c3ccccc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.67
RAB9A P51151 8/20 0.67
NPC1 O15118 7/20 0.67
GAA P10253 3/20 0.67
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.55
PTPN1 P18031 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 2/20 0.52
USP2 O75604 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 2/20 0.51
NAMPT P43490 1/20 0.50
HPGD P15428 2/20 0.48

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
SCHEMBL9645441 0.82 SMN1; SMN2 (0.86) SMN1; SMN2RAB9ANPC1GAACYP1A2
SCHEMBL4724997 0.81 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL10939388 0.79 SMN1; SMN2 (0.91) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL485904 0.79 RAB9A (0.58) RAB9ANPC1GAAMAPTPTPN1
SCHEMBL27982254 0.79 BCAT2 (0.55) SMN1; SMN2RAB9ANPC1GAAMAPT
SCHEMBL5943949 0.78 RAB9A (0.62) SMN1; SMN2RAB9ANPC1GAACYP1A2
SCHEMBL485919 0.78 SCN10A (0.65)
SCHEMBL5372083 0.77 CYP2C9 (0.65) SMN1; SMN2RAB9ANPC1GAACYP1A2
SCHEMBL31386126 0.77 PDGFRB (0.54) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1
SCHEMBL485959 0.77 NPC1 (0.62) SMN1; SMN2RAB9ANPC1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-23 US disclosed
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-23 US disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 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-20150183773-A1 Substituted piperidines VHL, PIR, PIGO SMN1; SMN2 1869/4885RAB9A 2471/4885NPC1 168/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 SMN1; SMN2 3678/4885RAB9A 1333/4885NPC1 871/4885

“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.