SCHEMBL9894709

SCHEMBL9894709

O=C(N1CCOCC1)N1CC(CS(=O)(=O)c2cccc(F)c2)CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.54
EPHX2 P34913 3/20 0.42
AKR1C3 P42330 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TACR1 P25103 2/20 0.40
F2 P00734 1/20 0.38
TACR2 P21452 1/20 0.38
TACR3 P29371 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 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
SCHEMBL3724530 0.92 F2R (0.62) F2RAKR1C3ALDH1A1HPGDCASP1
SCHEMBL9894743 0.84 F2R (0.59) F2REPHX2AKR1C3TACR1
SCHEMBL9895143 0.83 F2R (0.54) F2REPHX2AKR1C3TACR1
SCHEMBL9894614 0.83 F2R (0.54) F2REPHX2AKR1C3TACR1
SCHEMBL3801765 0.83 F2R (0.57) F2REPHX2AKR1C3TACR1
SCHEMBL15146915 0.82 F2R (0.53) F2RAKR1C3TACR1
SCHEMBL9894372 0.81 F2R (0.61) F2RAKR1C3TACR1
SCHEMBL9895091 0.81 F2R (0.52) F2REPHX2AKR1C3TACR1
SCHEMBL3724033 0.81 F2R (0.61) F2REPHX2AKR1C3ALDH1A1HPGD
SCHEMBL3799046 0.81 F2R (0.55) F2RAKR1C3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435428-B1 SUBSTITUTED PIPERIDINES BAYER IP GMBH (DE) 2013-07-31 EP disclosed
US-20120149694-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 US disclosed
US-20120149694-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 US disclosed
US-20120149694-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 US disclosed
WO-2010136128-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 (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-20120149694-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885EPHX2 2458/4885AKR1C3 2205/4885

“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.