SCHEMBL640806

SCHEMBL640806

CCc1ccc(C2CC(C(=O)O)CN(C(=O)N3CCC(O)CC3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.52
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
STAT1 P42224 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MGLL Q99685 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL642622 0.91 F2R (0.50) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL486191 0.88 F2R (0.58) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL640731 0.88 F2R (0.50) F2RNPC1ALDH1A1
SCHEMBL640569 0.86 F2R (0.66) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL1056124 0.86 F2R (0.54) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL1050074 0.86 F2R (0.52) F2RALDH1A1MGLLKCNH2HRH3
SCHEMBL1580636 0.84 F2R (0.60) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL640359 0.82 F2R (0.45) F2RNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL641596 0.82 F2R (0.68) 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 33 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 698/4885NPC1 67/4885MAPT 4718/4885
US-20120220563-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885NPC1 308/4885MAPT 4750/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885NPC1 67/4885MAPT 4718/4885
US-20120129831-A1 Substituted 3-(1,2,4-Oxadiazol-5-yl)-5-Phenylpiperidines VHL, TNNI3, PTGIS F2R 1675/4885NPC1 754/4885MAPT 4748/4885

“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.