SCHEMBL485904

SCHEMBL485904

Cc1ccc(-c2cncc(NC(=O)c3ccccc3)c2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 2/20 0.58
FKBP5 Q13451 1/20 0.56
BCAT2 O15382 1/20 0.52
XDH P47989 1/20 0.51
SLC22A12 Q96S37 1/20 0.51
CDK7 P50613 4/20 0.50
MAPT P10636 4/20 0.50
GSK3B P49841 3/20 0.50
NAMPT P43490 2/20 0.50
MEN1 O00255 1/20 0.50
CLK2 P49760 2/20 0.49
CLK3 P49761 2/20 0.49
DYRK1A Q13627 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL27982254 0.84 BCAT2 (0.55) RAB9AKMT2ANPC1BCAT2CDK7
SCHEMBL485966 0.80 CTSA (0.53) RAB9AKMT2ANPC1FKBP5BCAT2
SCHEMBL662433 0.79 SMN1; SMN2 (0.67) RAB9AKMT2ANPC1MAPTNAMPT
SCHEMBL485959 0.79 NPC1 (0.62) RAB9AKMT2ANPC1BCAT2MAPT
SCHEMBL19087072 0.79 BCAT2 (0.63) RAB9AKMT2ANPC1BCAT2MAPT
SCHEMBL485750 0.79 MAPT (0.50) RAB9ANPC1BCAT2CDK7MAPT
SCHEMBL22191704 0.78 CDK7 (0.57) CDK7MAPTGSK3BCLK2CLK3
SCHEMBL16913981 0.77 PIK3C3 (0.62) MAPTGSK3B
SCHEMBL28622654 0.77 RAB9A (0.93) RAB9AKMT2ANPC1FKBP5MAPT
SCHEMBL485794 0.76 KCNK3 (0.61) RAB9AKMT2ANPC1MAPTGSK3B

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 11 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
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
EP-2411363-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 WO 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 RAB9A 2471/4885KMT2A 3411/4885NPC1 168/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 RAB9A 1333/4885KMT2A 2409/4885NPC1 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.