Sugi Predict

Sugi Predict / Compounds / SCHEMBL1083709

SCHEMBL1083709

SCHEMBL1083709

Cc1cc(-c2cncc(C(F)(F)F)c2)nc(C)c1C(=O)N1CCC(N2CCC[C@H]2CO)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRNB1 P11230 2/20 0.35
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNB3 Q05901 2/20 0.35
▸ CYP11B2 P19099 2/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ SYK P43405 3/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ CCR5 P51681 1/20 0.32

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
SCHEMBL1083712 0.89 TRPV1 (0.46) TRPV1MEN1ALDH1A1KMT2AACACB
SCHEMBL1085607 0.89 TRPV1 (0.46) TRPV1MEN1ALDH1A1KMT2AACACB
SCHEMBL1083733 0.89 CHRNB1 (0.41) TRPV1MEN1ALDH1A1KMT2ACHRNB1
SCHEMBL1085252 0.89 CHRNB1 (0.41) TRPV1MEN1ALDH1A1KMT2ACHRNB1
SCHEMBL1085318 0.86 CHRNB2 (0.40) ALDH1A1CHRNB2ACACBACACASYK
SCHEMBL1083734 0.85 L3MBTL3 (0.45) ACACBACACACCR5
SCHEMBL1085612 0.82 TRPV1 (0.39) TRPV1MEN1ALDH1A1KMT2ACHRNB1
SCHEMBL1083692 0.82 TRPV1 (0.39) TRPV1MEN1ALDH1A1KMT2ACHRNB1
SCHEMBL1083713 0.81 TACR1 (0.39) TRPV1MEN1ALDH1A1KMT2ACHRNB1
SCHEMBL1085071 0.81 TACR1 (0.39) TRPV1MEN1ALDH1A1KMT2ACHRNB1

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 8 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 disclosed
US-8153805-B2 Biaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 — — US disclosed
US-8153805-B2 Biaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 — — US disclosed
EP-2205583-A2 N-HETEROCYCLIC BIARYL CARBOXAMIDES AS CCR RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-07-14 — — EP disclosed
WO-2009043747-A2 N-HETEROCYCLIC BIARYL CARBOXAMIDES AS CCR RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 — — WO disclosed
US-20090048238-A1 NOVEL BIARYL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 — — US disclosed
US-20090048238-A1 NOVEL BIARYL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 — — 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 196/4885MEN1 4348/4885ALDH1A1 1202/4885

“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.