SCHEMBL642636

SCHEMBL642636

COC(=O)C1CC(c2cccc(OC(F)(F)F)c2)CN(C(=O)N2CCOCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.46
MGLL Q99685 3/20 0.41
TACR1 P25103 1/20 0.41
CNR2 P34972 1/20 0.41
HCRTR2 O43614 3/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
NOTUM Q6P988 1/20 0.39
CNR1 P21554 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
EPHX2 P34913 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
SCHEMBL642568 0.90 NOTUM (0.47) F2RMGLLTACR1CNR2NOTUM
SCHEMBL13808289 0.90 F2R (0.49) F2RMGLLTACR1TSHRATM
SCHEMBL640578 0.89 F2R (0.45) F2RMGLLTACR1HCRTR2TSHR
SCHEMBL642020 0.88 F2R (0.53) F2RCNR1TMEM97EPHX2
SCHEMBL640620 0.87 F2R (0.52) F2RTACR1TSHRATM
SCHEMBL640741 0.86 F2R (0.56) F2RMGLLHCRTR2TSHRNOTUM
SCHEMBL642069 0.84 F2R (0.45) F2RMGLLTACR1TSHRATM
SCHEMBL1580980 0.83 F2R (0.51) F2RMGLLTACR1CNR2HCRTR2
SCHEMBL12720039 0.81 F2R (0.48) F2RTACR1TSHRATM
SCHEMBL641606 0.80 F2R (0.63) F2RTACR1EPHX2

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 9 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
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

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 F2R 698/4885MGLL 2499/4885TACR1 1493/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885MGLL 2499/4885TACR1 1493/4885

“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.