SCHEMBL1085174

SCHEMBL1085174

Cc1cc(-c2cccc(C(F)(F)F)c2)cc(C)c1C(=O)N1CCC(N2CCCC2CO)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
CHRM3 P20309 2/20 0.40
LMNA P02545 2/20 0.39
CCR5 P51681 2/20 0.39
GRIN2B Q13224 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 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
SCHEMBL1083706 1.00 TRPV1 (0.47) TRPV1ALDH1A1MEN1KMT2ASPHK2
SCHEMBL1083713 0.91 TACR1 (0.39) TRPV1ALDH1A1MEN1KMT2ALMNA
SCHEMBL1085071 0.91 TACR1 (0.39) TRPV1ALDH1A1MEN1KMT2ALMNA
SCHEMBL1085147 0.90 KDM1A (0.41) TRPV1ALDH1A1SPHK2SPHK1CHRM3
SCHEMBL1083711 0.90 KDM1A (0.41) TRPV1ALDH1A1SPHK2SPHK1CHRM3
SCHEMBL1083712 0.89 TRPV1 (0.46) TRPV1ALDH1A1MEN1KMT2ASPHK2
SCHEMBL1085607 0.89 TRPV1 (0.46) TRPV1ALDH1A1MEN1KMT2ASPHK2
SCHEMBL1420734 0.87 GRIN2B (0.47) TRPV1ALDH1A1MEN1KMT2ASPHK2
SCHEMBL1420737 0.87 GRIN2B (0.47) TRPV1ALDH1A1MEN1KMT2ASPHK2
SCHEMBL1085077 0.86 CCR5 (0.42) CHRM3CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153805-B2 Biaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US claimed
US-20090048238-A1 NOVEL BIARYL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 US claimed
US-8153805-B2 Biaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
US-20090048238-A1 NOVEL BIARYL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 US 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-20090048238-A1 NOVEL BIARYL DERIVATIVES CCR3, CCRL2, CCR2 TRPV1 196/4885ALDH1A1 1202/4885MEN1 4348/4885

“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.