SCHEMBL3723936

SCHEMBL3723936

O=C(N1CCOCC1)N1CC(CO)CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.63
AKR1C3 P42330 2/20 0.53
KMT2A Q03164 1/20 0.44
TACR1 P25103 1/20 0.43
EPHX2 P34913 1/20 0.41
RORC P51449 2/20 0.41
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
LIPE Q05469 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
SCHEMBL3800439 0.90 F2R (0.62) F2RAKR1C3KMT2ATACR1EPHX2
SCHEMBL9894080 0.89 F2R (0.63) F2RAKR1C3KMT2ATACR1EPHX2
SCHEMBL9927649 0.87 F2R (0.59) F2RAKR1C3KMT2ATACR1EPHX2
SCHEMBL9894743 0.87 F2R (0.59) F2RAKR1C3KMT2ATACR1EPHX2
SCHEMBL3797843 0.87 F2R (0.59) F2RAKR1C3KMT2ATACR1EPHX2
SCHEMBL9926852 0.86 F2R (0.63) F2RAKR1C3TACR1LIPE
SCHEMBL3801765 0.86 F2R (0.57) F2RAKR1C3KMT2ATACR1EPHX2
SCHEMBL3792551 0.86 F2R (0.57) F2RAKR1C3KMT2ATACR1EPHX2
SCHEMBL9926850 0.86 F2R (0.59) F2RAKR1C3KMT2ATACR1EPHX2
SCHEMBL3802068 0.86 F2R (0.57) F2RAKR1C3KMT2ATACR1EPHX2

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 12 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
US-20120142690-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 US disclosed
US-20120142690-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 US disclosed
US-20120142690-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 US disclosed
WO-2010136137-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
WO-2010136137-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 (2 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 2205/4885KMT2A 3323/4885
US-20120142690-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885AKR1C3 2205/4885KMT2A 3323/4885

“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.