SCHEMBL663227

SCHEMBL663227

CCc1ccc(C2CC(N(C)C(=O)N(C)c3ccccc3)CN(C(=O)C3CCCC3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.69
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 3/20 0.41
CCR5 P51681 5/20 0.40
TACR2 P21452 2/20 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
SCHEMBL663389 0.82 F2R (1.00) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL486024 0.77 F2R (0.64) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL10188698 0.74 F2R (0.64) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL10188818 0.74 F2R (0.72) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL486536 0.73 F2R (0.73) F2R
SCHEMBL485980 0.73 F2R (0.73) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL486025 0.73 F2R (0.60) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL10188700 0.73 F2R (0.65) F2RSMN1; SMN2CCR5
SCHEMBL641535 0.72 F2R (0.61) F2RNPC1
SCHEMBL662294 0.72 F2R (0.74) F2RNPC1MAPTSTAT1RAB9A

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-B Substituted piperidines as par-1 antagonists BAYER SCHERING PHARMA AG 2014-09-17 CN 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
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 F2R 1243/4885NPC1 168/4885MAPT 4722/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 F2R 1/4885NPC1 871/4885MAPT 4575/4885

“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.