SCHEMBL485966

SCHEMBL485966

Cc1cccc(-c2cncc(NC(=O)c3ccccc3)c2)c1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.53
KCNK3 O14649 5/20 0.50
KCNK9 Q9NPC2 3/20 0.50
NR1H4 Q96RI1 1/20 0.50
BCAT2 O15382 1/20 0.50
FFAR1 O14842 1/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NAMPT P43490 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FKBP5 Q13451 1/20 0.47
GSK3B P49841 2/20 0.47
PTPN1 P18031 1/20 0.47
POLB P06746 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
P4HTM Q9NXG6 1/20 0.46

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
SCHEMBL485904 0.80 RAB9A (0.58) BCAT2KMT2ANPC1RAB9ANAMPT
SCHEMBL27982254 0.79 BCAT2 (0.55) KCNK3KCNK9BCAT2KMT2ANPC1
SCHEMBL19087072 0.77 BCAT2 (0.63) KCNK3KCNK9BCAT2KMT2ANPC1
SCHEMBL24628459 0.74 DEGS1 (0.50) KMT2ANPC1RAB9ANAMPTMEN1
SCHEMBL485750 0.74 MAPT (0.50) KCNK3BCAT2NPC1RAB9ANAMPT
SCHEMBL2270209 0.72 NPC1 (0.54) KCNK3KCNK9NR1H4KMT2ANPC1
SCHEMBL662433 0.72 SMN1; SMN2 (0.67) KMT2ANPC1RAB9ANAMPTMEN1
SCHEMBL485959 0.72 NPC1 (0.62) KCNK3BCAT2KMT2ANPC1RAB9A
SCHEMBL485794 0.72 KCNK3 (0.61) KCNK3KMT2ANPC1RAB9AMEN1
SCHEMBL19328001 0.71 MAPK14 (0.53) KMT2ANPC1RAB9AMEN1MAPT

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 CTSA 371/4885KCNK3 1118/4885KCNK9 2538/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 CTSA 281/4885KCNK3 1252/4885KCNK9 1442/4885

“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.