SCHEMBL1056124

SCHEMBL1056124

CCc1ccc(C2CC(C(=O)O)CN(C(=O)N3CCSCC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.54
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
STAT1 P42224 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.36

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
SCHEMBL486020 0.91 F2R (0.61) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL1055207 0.89 F2R (0.56) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL640806 0.86 F2R (0.52) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL640569 0.86 F2R (0.66) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL642622 0.86 F2R (0.50) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL1056589 0.86 F2R (0.41) F2R
SCHEMBL1055569 0.84 HRH3 (0.44) F2RS1PR1
SCHEMBL486191 0.84 F2R (0.58) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL3724723 0.84 F2R (0.60) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL1057305 0.82 F2R (0.43) F2R

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252948-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US disclosed
US-20130252948-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US disclosed
US-8440657-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-8440657-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-8440657-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-8202862-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-19 US disclosed
US-8202862-B2 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-19 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
WO-2010136138-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 US disclosed
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 US disclosed
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 US 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 (4 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-20110021489-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PIGO F2R 1339/4885NPC1 308/4885RAB9A 2685/4885
US-20100305111-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PTGIS F2R 1245/4885NPC1 343/4885RAB9A 2678/4885
US-20120220563-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885NPC1 308/4885RAB9A 2685/4885
US-20130252948-A1 Substituted piperidines VHL, PIR, PTGIS F2R 1245/4885NPC1 343/4885RAB9A 2678/4885

“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.