SCHEMBL9894080

SCHEMBL9894080

O=C(O)CC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.63
AKR1C3 P42330 1/20 0.51
TACR1 P25103 1/20 0.44
RORC P51449 2/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 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
SCHEMBL3723936 0.89 F2R (0.63) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL3800439 0.88 F2R (0.62) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL9926850 0.88 F2R (0.59) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL3720226 0.87 F2R (0.64) F2RAKR1C3TACR1EPHX2
SCHEMBL9896029 0.86 F2R (0.55) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL3724039 0.86 F2R (0.62) F2RAKR1C3TACR1USP2
SCHEMBL9927649 0.85 F2R (0.59) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL3797843 0.85 F2R (0.59) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL9894743 0.85 F2R (0.59) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL3729689 0.84 F2R (0.62) F2RAKR1C3TACR1RORCUSP2

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.