SCHEMBL641469

SCHEMBL641469

COC(=O)C1CC(c2cccc(C(F)(F)F)c2)CN(C(=O)N2CC(O)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 3/20 0.43
GRIN2B Q13224 1/20 0.42
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
GUSB P08236 1/20 0.41
CCR2 P41597 1/20 0.41
LMNA P02545 3/20 0.40
HCRTR2 O43614 1/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
CHRM4 P08173 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL641941 0.93 F2R (0.48) F2RGRIN2BDRD2CCR2HCRTR2
SCHEMBL641859 0.92 F2R (0.53) F2RGRIN2BDRD2CCR2HCRTR2
SCHEMBL10233794 0.88 NOTUM (0.45) F2RGRIN2BHTR2CDRD2LMNA
SCHEMBL640620 0.88 F2R (0.52) F2RGRIN2BCCR2POLB
SCHEMBL640599 0.87 F2R (0.55) F2RPOLB
SCHEMBL642972 0.85 F2R (0.55) F2RGRIN2BDRD2CCR2HCRTR2
SCHEMBL1580743 0.85 F2R (0.40) F2RGRIN2BHTR2CDRD2GUSB
SCHEMBL27819410 0.82 HCRTR2 (0.41) F2RGRIN2BHTR2CDRD2CCR2
SCHEMBL641864 0.81 F2R (0.49) F2RGRIN2BHTR2CDRD2LMNA
SCHEMBL2968060 0.81 GRIN2B (0.42) F2RGRIN2BHTR2CDRD2HCRTR2

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 698/4885GRIN2B 2652/4885HTR2C 1327/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885GRIN2B 2652/4885HTR2C 1327/4885

“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.