SCHEMBL641502

SCHEMBL641502

COC(=O)C1CC(c2ccc(C)c(C(F)(F)F)c2)CN(C(=O)N2CCOCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.47
AKR1C3 P42330 2/20 0.40
TACR1 P25103 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NOTUM Q6P988 1/20 0.38
KIF11 P52732 1/20 0.37
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL642108 0.90 F2R (0.48) F2RAKR1C3TACR1GAAMAPT
SCHEMBL642499 0.89 F2R (0.50) F2RMAPT
SCHEMBL642283 0.88 F2R (0.51) F2RAKR1C3GAAMAPTKIF11
SCHEMBL641606 0.85 F2R (0.63) F2RAKR1C3TACR1USP2PKM
SCHEMBL642069 0.85 F2R (0.45) F2RAKR1C3TACR1GAAMAPT
SCHEMBL1580688 0.84 F2R (0.51) F2RAKR1C3TACR1GAAMAPT
SCHEMBL640620 0.83 F2R (0.52) F2RAKR1C3TACR1GAAUSP2
SCHEMBL642020 0.81 F2R (0.53) F2RAKR1C3PKM
SCHEMBL642636 0.80 F2R (0.46) F2RTACR1NOTUMTSHRATM
SCHEMBL640253 0.78 F2R (0.49) F2RMAPTNOTUM

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 11 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
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

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 698/4885AKR1C3 1732/4885TACR1 1493/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885AKR1C3 1732/4885TACR1 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.