SCHEMBL485959

SCHEMBL485959

O=C(Nc1cncc(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
P2RX1 P51575 1/20 0.59
HDAC2 Q92769 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
KCNK3 O14649 1/20 0.54
LMNA P02545 2/20 0.53
P2RY14 Q15391 1/20 0.53
EPHX2 P34913 2/20 0.53
NTRK1 P04629 1/20 0.53
PTPN1 P18031 2/20 0.53
BCAT2 O15382 1/20 0.52
POLB P06746 1/20 0.52
STAT3 P40763 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NAMPT P43490 2/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 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
SCHEMBL485794 0.89 KCNK3 (0.61) NPC1RAB9AP2RX1KCNK3LMNA
SCHEMBL30728660 0.86 P2RX1 (0.70) NPC1RAB9AP2RX1KCNK3LMNA
SCHEMBL485919 0.85 SCN10A (0.65)
SCHEMBL27924242 0.83 NPC1 (0.90) NPC1RAB9AP2RX1HDAC2TRPV1
SCHEMBL485904 0.79 RAB9A (0.58) NPC1RAB9ALMNAPTPN1BCAT2
SCHEMBL31301640 0.79 SCN10A (0.65) NPC1RAB9AP2RX1TRPV1P2RY14
SCHEMBL27982254 0.78 BCAT2 (0.55) NPC1RAB9AKCNK3LMNAP2RY14
SCHEMBL2564890 0.78 NPC1 (1.00) NPC1RAB9AP2RX1TRPV1KCNK3
SCHEMBL6674930 0.77 APOB (0.55) NPC1RAB9ALMNAP2RY14GAA
SCHEMBL662433 0.77 SMN1; SMN2 (0.67) NPC1RAB9ALMNAPTPN1SMN1; 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 12 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
CN-102438985-B Substituted piperidines as par-1 antagonists BAYER SCHERING PHARMA AG 2014-09-17 CN 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 NPC1 168/4885RAB9A 2471/4885P2RX1 50/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 NPC1 871/4885RAB9A 1333/4885P2RX1 40/4885

“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.