SCHEMBL10278941

SCHEMBL10278941

O=C(O)C1CC(c2ccc(OC(F)F)cc2)CN(C(=O)N2CC(O)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HTT P42858 1/20 0.38
F2R P25116 4/20 0.37
TSHR P16473 1/20 0.36
MDM2 Q00987 1/20 0.36
IDO1 P14902 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL10278734 0.92 F2R (0.43) ALDH1A1HTTF2RTSHRMDM2
SCHEMBL10278542 0.88 LMNA (0.39) ALDH1A1HTTF2RTSHRMDM2
SCHEMBL1055593 0.87 F2R (0.40) ALDH1A1HTTF2RTSHRMDM2
SCHEMBL1055592 0.87 F2R (0.47) ALDH1A1HTTF2RKMT2A
SCHEMBL1056811 0.86 ALDH1A1 (0.35) ALDH1A1HTTF2RTSHRMDM2
SCHEMBL641277 0.85 F2R (0.48) F2RKMT2AHRH3
SCHEMBL10278942 0.82 F2R (0.43) ALDH1A1HTTF2RTSHRMDM2
SCHEMBL640805 0.81 F2R (0.55) F2RTSHRKMT2A
SCHEMBL642622 0.78 F2R (0.50) ALDH1A1F2R
SCHEMBL642019 0.78 F2R (0.51) F2RKMT2AHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ALDH1A1 609/4885HTT 878/4885F2R 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.