SCHEMBL485794

SCHEMBL485794

O=C(Nc1cncc(-c2cccc(C(F)(F)F)c2)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.61
LMNA P02545 1/20 0.60
MEN1 O00255 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
P2RX1 P51575 2/20 0.56
RXFP1 Q9HBX9 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 3/20 0.54
MAPK1 P28482 1/20 0.54
GAA P10253 1/20 0.54
KCNQ3 O43525 2/20 0.53
KCNQ2 O43526 2/20 0.53
KCNE1 P15382 2/20 0.53
KCNQ1 P51787 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KCNQ5 Q9NR82 1/20 0.53
ADCY1 Q08828 1/20 0.51
MPO P05164 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
SCHEMBL485959 0.89 NPC1 (0.62) KCNK3LMNAMEN1TSHRKMT2A
SCHEMBL30728660 0.83 P2RX1 (0.70) KCNK3LMNAMEN1TSHRKMT2A
SCHEMBL24073967 0.81 KCNK3 (0.82) KCNK3LMNAMEN1TSHRKMT2A
SCHEMBL4683413 0.79 KCNK3 (0.88) KCNK3LMNAMEN1TSHRKMT2A
SCHEMBL485750 0.78 MAPT (0.50) KCNK3LMNANPC1RAB9AMAPT
SCHEMBL14457437 0.78 MEN1 (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22441868 0.78 P2RX1 (0.63) KCNK3LMNAMEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL29693050 0.77 KCNK3 (0.86) KCNK3LMNAMEN1TSHRKMT2A
SCHEMBL485919 0.77 SCN10A (0.65)
SCHEMBL485904 0.76 RAB9A (0.58) LMNAMEN1KMT2ANPC1RAB9A

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 KCNK3 1118/4885LMNA 182/4885MEN1 1167/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 KCNK3 1252/4885LMNA 460/4885MEN1 703/4885

“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.