SCHEMBL9888673

SCHEMBL9888673

O=CC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)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
TACR1 P25103 1/20 0.43
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.41
RORC P51449 2/20 0.41
KMT2A Q03164 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
SCHEMBL9888817 0.85 F2R (0.64) F2RAKR1C3TACR1RORC
SCHEMBL9894457 0.84 F2R (0.65) F2RAKR1C3TACR1USP2PKM
SCHEMBL10188767 0.84 F2R (0.65) F2RAKR1C3TACR1USP2PKM
SCHEMBL9894456 0.84 F2R (0.65) F2RAKR1C3TACR1USP2PKM
SCHEMBL9888818 0.84 F2R (0.55) F2RAKR1C3TACR1USP2PKM
Hydrochloric Acid SCHEMBL663373 0.83 F2R (0.64) F2RAKR1C3TACR1USP2PKM
SCHEMBL485914 0.83 F2R (0.67) F2RAKR1C3TACR1USP2PKM
SCHEMBL9894080 0.83 F2R (0.63) F2RAKR1C3TACR1USP2PKM
SCHEMBL641316 0.82 F2R (0.63) F2RAKR1C3TACR1USP2PKM
SCHEMBL3723936 0.82 F2R (0.63) F2RAKR1C3TACR1USP2PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120142690-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.