SCHEMBL642179

SCHEMBL642179

Cc1ccc(C2CC(c3nc(C(C)C)no3)CN(C(=O)N3CCC(O)CC3)C2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
GRM5 P41594 5/20 0.42
F2R P25116 3/20 0.41
CNR1 P21554 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
GPR119 Q8TDV5 2/20 0.39
CCR5 P51681 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM4 P08173 1/20 0.38
ENPP2 Q13822 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CNR2 P34972 1/20 0.36
SCD5 Q86SK9 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
SCHEMBL640564 0.93 EPHX2 (0.42) EPHX2GRM5F2RCNR1TMEM97
SCHEMBL642000 0.90 EPHX2 (0.43) EPHX2GRM5F2RCNR1TMEM97
SCHEMBL642349 0.90 F2R (0.43) EPHX2GRM5F2RCNR1TMEM97
SCHEMBL1580955 0.89 HSD11B1 (0.46) EPHX2GRM5F2RCNR1TMEM97
SCHEMBL1581957 0.88 F2R (0.49) EPHX2GRM5F2RCNR1TMEM97
SCHEMBL10234332 0.85 F2R (0.54) EPHX2GRM5F2RCNR1TMEM97
SCHEMBL1581260 0.84 EPHX2 (0.46) EPHX2GRM5F2RCNR1TMEM97
SCHEMBL11997352 0.83 F2R (0.49) EPHX2GRM5F2RCNR1TMEM97
SCHEMBL640807 0.82 F2R (0.62) EPHX2GRM5F2RCNR1TMEM97
SCHEMBL641520 0.82 F2R (0.42) GRM5F2RCNR1TMEM97

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
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
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP 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 (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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 EPHX2 1595/4885GRM5 1833/4885F2R 698/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 EPHX2 1595/4885GRM5 1833/4885F2R 698/4885

“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.