SCHEMBL642622

SCHEMBL642622

CCc1ccc(C2CC(C(=O)O)CN(C(=O)N3CC(O)C3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.50
S1PR1 P21453 2/20 0.44
S1PR5 Q9H228 2/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.39
CSF1R P07333 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL640806 0.91 F2R (0.52) F2RS1PR1S1PR5NPC1MAPT
SCHEMBL12720028 0.90 F2R (0.48) F2RS1PR1S1PR5NPC1MAPT
SCHEMBL486020 0.90 F2R (0.61) F2RS1PR1S1PR5NPC1MAPT
SCHEMBL640320 0.88 F2R (0.54) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL640569 0.86 F2R (0.66) F2RS1PR1S1PR5NPC1MAPT
SCHEMBL1056124 0.86 F2R (0.54) F2RS1PR1S1PR5NPC1MAPT
SCHEMBL486191 0.83 F2R (0.58) F2RS1PR1S1PR5NPC1MAPT
SCHEMBL486024 0.82 F2R (0.64) F2RS1PR1S1PR5NPC1MAPT
SCHEMBL1580503 0.82 F2R (0.59) F2RS1PR1S1PR5NPC1MAPT
SCHEMBL640841 0.81 F2R (0.48) F2RS1PR1S1PR5NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932577-B Heteroaryl-substituted piperidines BAYER HEALTHCARE AG 2013-07-17 CN 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-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
CN-102596944-A Substituted piperidines BAYER SCHERING PHARMA AG 2012-07-18 CN disclosed
US-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
WO-2010136127-A1 SUBSTITUTED 3-(1,2,4-OXADIAZOL-5-YL)-5-PHENYLPIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136127-A1 SUBSTITUTED 3-(1,2,4-OXADIAZOL-5-YL)-5-PHENYLPIPERIDINES 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
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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 (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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885S1PR1 860/4885S1PR5 578/4885
US-20120220563-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885S1PR1 249/4885S1PR5 130/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885S1PR1 860/4885S1PR5 578/4885
US-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines VHL, TNNI3, PTGIS F2R 1675/4885S1PR1 418/4885S1PR5 102/4885

“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.