SCHEMBL3723481

SCHEMBL3723481

CC(C)OCC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.56
TACR1 P25103 2/20 0.47
AKR1C3 P42330 1/20 0.47
LIPE Q05469 1/20 0.41
KMT2A Q03164 1/20 0.40
RORC P51449 2/20 0.39
CNR1 P21554 1/20 0.39
USP2 O75604 1/20 0.38
PKM P14618 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
SCHEMBL3797843 0.89 F2R (0.59) F2RTACR1AKR1C3LIPEKMT2A
SCHEMBL3792551 0.87 F2R (0.57) F2RTACR1AKR1C3LIPEKMT2A
SCHEMBL9894493 0.87 F2R (0.55) F2RTACR1AKR1C3LIPEKMT2A
SCHEMBL9926851 0.86 F2R (0.55) F2RTACR1AKR1C3KMT2ARORC
SCHEMBL9895452 0.85 F2R (0.57) F2RTACR1AKR1C3KMT2ARORC
SCHEMBL9895301 0.85 F2R (0.53) F2RTACR1AKR1C3LIPEKMT2A
SCHEMBL3723936 0.85 F2R (0.63) F2RTACR1AKR1C3LIPEKMT2A
SCHEMBL9894340 0.85 F2R (0.56) F2RTACR1AKR1C3LIPEKMT2A
SCHEMBL9894270 0.85 F2R (0.56) F2RTACR1AKR1C3LIPEKMT2A
SCHEMBL3799529 0.85 F2R (0.56) F2RTACR1AKR1C3LIPEKMT2A

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 1339/4885TACR1 544/4885AKR1C3 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.