SCHEMBL3799376

SCHEMBL3799376

O=C(N1CCOCC1)N1CC(C[S+]([O-])Cc2ccccc2)CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.59
AKR1C3 P42330 1/20 0.43
TACR1 P25103 2/20 0.42
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
RORC P51449 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 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
SCHEMBL9895904 0.88 F2R (0.61) F2RAKR1C3TACR1RORCSMN1; SMN2
SCHEMBL3799504 0.87 F2R (0.55) F2RAKR1C3TACR1RORCSMN1; SMN2
SCHEMBL3793965 0.85 F2R (0.54) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL9894681 0.85 F2R (0.54) F2RAKR1C3TACR1RORCSMN1; SMN2
SCHEMBL3795367 0.82 F2R (0.61) F2RAKR1C3TACR1CHRM2CHRM5
SCHEMBL3730116 0.82 F2R (0.61) F2RAKR1C3TACR1CHRM2CHRM5
SCHEMBL9894372 0.82 F2R (0.61) F2RAKR1C3TACR1CHRM2CHRM5
SCHEMBL3724039 0.81 F2R (0.62) F2RAKR1C3TACR1CHRM2CHRM5
SCHEMBL9894080 0.81 F2R (0.63) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL3723936 0.81 F2R (0.63) F2RAKR1C3TACR1RORCKMT2A

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 7 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
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.