SCHEMBL9895904

SCHEMBL9895904

O=C(N1CCOCC1)N1CC(C[S+]([O-])c2ccccc2)CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.61
AKR1C3 P42330 2/20 0.44
TACR1 P25103 3/20 0.43
RORC P51449 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9895091 0.91 F2R (0.52) F2RAKR1C3TACR1RORC
SCHEMBL3799376 0.88 F2R (0.59) F2RAKR1C3TACR1RORCSMN1; SMN2
SCHEMBL3799504 0.85 F2R (0.55) F2RAKR1C3TACR1RORCSMN1; SMN2
SCHEMBL3793965 0.84 F2R (0.54) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL9894681 0.84 F2R (0.54) F2RAKR1C3TACR1RORCSMN1; SMN2
SCHEMBL9894080 0.83 F2R (0.63) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL3723936 0.82 F2R (0.63) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL3800439 0.81 F2R (0.62) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL3724530 0.81 F2R (0.62) F2RAKR1C3TACR1RORCSMN1; SMN2
SCHEMBL3729689 0.81 F2R (0.62) F2RAKR1C3TACR1RORCSMN1; SMN2

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 6 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
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 1339/4885AKR1C3 2205/4885TACR1 544/4885

“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.