SCHEMBL1083716

SCHEMBL1083716

Cc1cc(-c2cccc(C(F)(F)F)c2)ccc1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 15/20 0.58
L3MBTL1 Q9Y468 14/20 0.58
TP53BP1 Q12888 5/20 0.52
MBTD1 Q05BQ5 8/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM2 P08172 2/20 0.47
L3MBTL4 Q8NA19 2/20 0.47
NR1I2 O75469 1/20 0.47
CACNA1B Q00975 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
OPRK1 P41145 1/20 0.47
PHF20 Q9BVI0 1/20 0.47
MORF4L1 Q9UBU8 1/20 0.47

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
SCHEMBL1083719 0.88 CCR5 (0.51) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL1083745 0.88 NR1I2 (0.52) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1
SCHEMBL1083750 0.87 CACNA1B (0.61) L3MBTL3L3MBTL1TP53BP1MBTD1NR1I2
SCHEMBL1083743 0.87 LMNA (0.51) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1
SCHEMBL1083710 0.85 CCR5 (0.48) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL1083690 0.85 L3MBTL3 (0.55) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1
SCHEMBL1083720 0.84 L3MBTL3 (0.53) L3MBTL3L3MBTL1TP53BP1MBTD1MEN1
SCHEMBL1421384 0.84 GRIN2B (0.52) L3MBTL3L3MBTL1
SCHEMBL4418300 0.83 CHRM2 (0.46) L3MBTL3L3MBTL1TP53BP1CHRM2L3MBTL4
SCHEMBL1083736 0.82 L3MBTL3 (0.44) L3MBTL3L3MBTL1

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 9 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
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 L3MBTL3 1629/4885L3MBTL1 2710/4885TP53BP1 4816/4885

“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.