SCHEMBL485977

SCHEMBL485977

CCc1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.49
CYP2A6 P11509 2/20 0.47
PKM P14618 1/20 0.46
CYP11B2 P19099 3/20 0.45
CYP11B1 P15538 2/20 0.45
PGR P06401 1/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
METAP2 P50579 1/20 0.40
PTK2 Q05397 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL3668578 0.81 MKNK1 (0.53) SMN1; SMN2MAPTHTTCYP2A6PKM
SCHEMBL3666921 0.81 CYP2A6 (0.53) SMN1; SMN2MAPTHTTCYP2A6CYP11B2
SCHEMBL28759893 0.81 CYP2A6 (0.44) SMN1; SMN2MAPTHTTL3MBTL1CYP2A6
SCHEMBL3669053 0.81 NOS1 (0.49) SMN1; SMN2MAPTHTTCYP2A6CYP11B2
SCHEMBL4159355 0.81 HRH3 (0.57) SMN1; SMN2MAPTHTTCYP2A6CYP11B2
SCHEMBL24801835 0.79 CYP2A6 (0.49) SMN1; SMN2MAPTHTTCYP2A6CYP11B2
SCHEMBL5110764 0.79 CYP2A6 (0.52) SMN1; SMN2MAPTHTTCYP2A6CYP11B2
SCHEMBL12514354 0.78 RXRA (0.41) SMN1; SMN2MAPTHTTCYP2A6METAP2
SCHEMBL14392676 0.77 CYP2A6 (0.61) HTTCYP2A6CYP11B2CYP11B1PGR
SCHEMBL670394 0.76

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 13 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-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-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
CN-102438985-A Substituted piperidines as par-1 antagonists BAYER SCHERING PHARMA AG 2012-05-02 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
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

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 1869/4885MAPT 4722/4885HTT 1442/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 SMN1; SMN2 3678/4885MAPT 4575/4885HTT 1872/4885

“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.