SCHEMBL9894572

SCHEMBL9894572

O=C(N1CCOCC1)N1CC(CS(=O)(=O)C2CCCCC2)CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.54
AKR1C3 P42330 1/20 0.45
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.39
RORC P51449 2/20 0.38
USP2 O75604 2/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LIPE Q05469 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3799046 0.99 F2R (0.55) F2RAKR1C3KMT2ATACR1RORC
SCHEMBL9894743 0.88 F2R (0.59) F2RAKR1C3KMT2ATACR1RORC
SCHEMBL3801765 0.86 F2R (0.57) F2RAKR1C3KMT2ATACR1RORC
SCHEMBL3724530 0.84 F2R (0.62) F2RAKR1C3TACR1RORCALDH1A1
SCHEMBL3798728 0.84 F2R (0.55) F2RAKR1C3KMT2ATACR1RORC
SCHEMBL9894681 0.83 F2R (0.54) F2RAKR1C3KMT2ATACR1RORC
SCHEMBL3723936 0.83 F2R (0.63) F2RAKR1C3KMT2ATACR1RORC
SCHEMBL9894270 0.83 F2R (0.56) F2RAKR1C3KMT2ATACR1RORC
SCHEMBL9894372 0.83 F2R (0.61) F2RAKR1C3KMT2ATACR1RORC
SCHEMBL3800439 0.82 F2R (0.62) F2RAKR1C3KMT2ATACR1RORC

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 2205/4885KMT2A 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.