SCHEMBL640578

SCHEMBL640578

COC(=O)C1CC(c2cccc(OC(F)(F)F)c2)CN(C(=O)N2CCC(O)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.45
HCRTR2 O43614 4/20 0.42
NOTUM Q6P988 1/20 0.41
HSD11B1 P28845 1/20 0.41
MGLL Q99685 4/20 0.40
BCL9 O00512 2/20 0.40
CTNNB1 P35222 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
PDK2 Q15119 1/20 0.39
TACR1 P25103 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
SCHEMBL641049 0.90 NOTUM (0.50) F2RHCRTR2NOTUMHSD11B1MGLL
SCHEMBL640741 0.90 F2R (0.56) F2RHCRTR2NOTUMHSD11B1MGLL
SCHEMBL642636 0.89 F2R (0.46) F2RHCRTR2NOTUMMGLLTSHR
SCHEMBL641399 0.88 F2R (0.53) F2RHSD11B1MGLLCNR1TMEM97
SCHEMBL641859 0.87 F2R (0.53) F2RHCRTR2PDK2
SCHEMBL1581140 0.86 F2R (0.43) F2RHCRTR2NOTUMHSD11B1MGLL
SCHEMBL27819196 0.84 HCRTR2 (0.42) F2RHCRTR2NOTUMHSD11B1MGLL
SCHEMBL641521 0.84 F2R (0.47) F2RMGLLCNR1TMEM97PDK2
SCHEMBL12719994 0.84 F2R (0.44) F2RALDH1A1TSHRPDK2TACR1
SCHEMBL642313 0.83 F2R (0.50) F2RHSD11B1MGLLCNR1TMEM97

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 698/4885HCRTR2 3619/4885NOTUM 2328/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885HCRTR2 3619/4885NOTUM 2328/4885

“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.