SCHEMBL1083743

SCHEMBL1083743

COc1cc(-c2cccc(C(F)(F)F)c2)ccc1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
L3MBTL3 Q96JM7 7/20 0.48
L3MBTL1 Q9Y468 7/20 0.48
MBTD1 Q05BQ5 2/20 0.48
TP53BP1 Q12888 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HTR2B P41595 1/20 0.47
PIK3CA P42336 2/20 0.46
MTOR P42345 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1I2 O75469 2/20 0.45
CACNA1B Q00975 2/20 0.45
TACR1 P25103 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
SCHEMBL1083716 0.87 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1MEN1
SCHEMBL1083736 0.86 L3MBTL3 (0.44) LMNATSHRL3MBTL3L3MBTL1KDM4E
SCHEMBL1420727 0.85 GRIN2B (0.48) L3MBTL3L3MBTL1TACR1
SCHEMBL1083745 0.85 NR1I2 (0.52) LMNAL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1083750 0.84 CACNA1B (0.61) L3MBTL3L3MBTL1MBTD1TP53BP1NR1I2
SCHEMBL1083720 0.80 L3MBTL3 (0.53) LMNAL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1083719 0.80 CCR5 (0.51) LMNAL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1083699 0.79 L3MBTL3 (0.51) LMNATSHRL3MBTL3L3MBTL1MBTD1
SCHEMBL1085624 0.77 L3MBTL3 (0.59) LMNATSHRL3MBTL3L3MBTL1MBTD1
SCHEMBL1083710 0.77 CCR5 (0.48) LMNAL3MBTL3L3MBTL1MBTD1TP53BP1

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 LMNA 3998/4885TSHR 502/4885L3MBTL3 1629/4885

“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.