SCHEMBL16579466

SCHEMBL16579466

CCc1ccc(C2CC(NC(=O)O)CN(C(=O)N3CCCC3)C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 18/20 0.76
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
STAT1 P42224 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.42

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
SCHEMBL16579598 0.91 F2R (0.81) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL486312 0.88 F2R (0.75) F2RKMT2A
SCHEMBL663332 0.86 F2R (1.00) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL10240200 0.85 F2R (0.71) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL10242051 0.85 F2R (0.79) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL485924 0.84 F2R (0.64) F2R
SCHEMBL485984 0.84 F2R (0.69) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL661768 0.82 F2R (0.82) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL640707 0.82 F2R (0.60) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL486020 0.82 F2R (0.61) F2RNPC1RAB9AMAPTSTAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102438985-B Substituted piperidines as par-1 antagonists BAYER SCHERING PHARMA AG 2014-09-17 CN 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 (1 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 168/4885RAB9A 2471/4885

“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.