SCHEMBL1083690

SCHEMBL1083690

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 12/20 0.55
L3MBTL1 Q9Y468 12/20 0.55
MBTD1 Q05BQ5 5/20 0.53
TP53BP1 Q12888 5/20 0.49
SLC6A7 Q99884 1/20 0.48
MCHR1 Q99705 1/20 0.47
HSD11B1 P28845 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MGLL Q99685 1/20 0.46
DHODH Q02127 1/20 0.45
CACNA1B Q00975 1/20 0.45
L3MBTL4 Q8NA19 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45

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
SCHEMBL1083700 0.89 L3MBTL3 (0.47) L3MBTL3L3MBTL1TP53BP1SLC6A7MCHR1
SCHEMBL1083696 0.85 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1TP53BP1HSD11B1
SCHEMBL1083716 0.85 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1MEN1
SCHEMBL1083741 0.82 L3MBTL3 (0.48) L3MBTL3L3MBTL1MBTD1TP53BP1SLC6A7
SCHEMBL1083725 0.82 L3MBTL3 (0.44) L3MBTL3L3MBTL1TP53BP1SLC6A7MCHR1
SCHEMBL1083727 0.81 L3MBTL3 (0.43) L3MBTL3L3MBTL1SLC6A7MCHR1HSD11B1
SCHEMBL12662445 0.79 CYP2D6 (0.44) L3MBTL3L3MBTL1TP53BP1SLC6A7MCHR1
SCHEMBL1724710 0.79 CYP2D6 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1SLC6A7
SCHEMBL1720828 0.79 L3MBTL3 (0.44) L3MBTL3L3MBTL1MBTD1TP53BP1SLC6A7
SCHEMBL1720300 0.79 CYP2D6 (0.43) L3MBTL3L3MBTL1TP53BP1SLC6A7MCHR1

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 2710/4885MBTD1 2853/4885

“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.