SCHEMBL1056038

SCHEMBL1056038

O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(OCC(F)(F)F)no2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.53
CNR1 P21554 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
AKR1C3 P42330 1/20 0.43
POLB P06746 2/20 0.41
TACR1 P25103 1/20 0.39
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
GRM5 P41594 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1076525 0.92 F2R (0.53) F2RCNR1TMEM97AKR1C3POLB
SCHEMBL1055582 0.90 F2R (0.54) F2RCNR1TMEM97AKR1C3POLB
SCHEMBL1053094 0.90 F2R (0.53) F2RCNR1TMEM97AKR1C3POLB
SCHEMBL1056036 0.88 F2R (0.51) F2RCNR1TMEM97AKR1C3POLB
SCHEMBL1082434 0.85 F2R (0.56) F2RCNR1TMEM97AKR1C3POLB
SCHEMBL1052036 0.85 F2R (0.56) F2RCNR1TMEM97AKR1C3POLB
SCHEMBL640623 0.85 F2R (0.59) F2RCNR1TMEM97AKR1C3POLB
SCHEMBL640793 0.85 F2R (0.54) F2RCNR1TMEM97AKR1C3POLB
SCHEMBL640304 0.84 F2R (0.55) F2RCNR1TMEM97AKR1C3POLB
SCHEMBL642168 0.84 F2R (0.60) F2RCNR1TMEM97AKR1C3POLB

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-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-20120220563-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-30 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084469-B2 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021489-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 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-20110021489-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PIGO F2R 1339/4885CNR1 460/4885TMEM97 903/4885
US-20120220563-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885CNR1 460/4885TMEM97 903/4885

“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.