SCHEMBL1083719

SCHEMBL1083719

Cc1cc(-c2cccc(C(F)(F)F)c2)cc(C)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.51
L3MBTL3 Q96JM7 10/20 0.50
L3MBTL1 Q9Y468 9/20 0.50
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
TP53BP1 Q12888 2/20 0.46
L3MBTL4 Q8NA19 2/20 0.46
MBTD1 Q05BQ5 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
TRPV4 Q9HBA0 1/20 0.45
NPY2R P49146 1/20 0.44

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
SCHEMBL1083710 0.96 CCR5 (0.48) CCR5L3MBTL3L3MBTL1LMNAPOLB
SCHEMBL1083702 0.92 CCR5 (0.52) CCR5LMNA
SCHEMBL1083736 0.91 L3MBTL3 (0.44) CCR5L3MBTL3L3MBTL1LMNAPOLB
SCHEMBL1083716 0.88 L3MBTL3 (0.58) L3MBTL3L3MBTL1TP53BP1L3MBTL4MBTD1
SCHEMBL1083699 0.88 L3MBTL3 (0.51) L3MBTL3L3MBTL1LMNAPOLBHPGD
SCHEMBL1083742 0.88 CYP2C9 (0.48) CCR5L3MBTL3L3MBTL1IRAK4TRPV4
SCHEMBL1083726 0.88 ACACB (0.42) CCR5L3MBTL3L3MBTL1LMNAIRAK4
SCHEMBL1083693 0.87 ACACB (0.50) CCR5L3MBTL3L3MBTL1IRAK4TRPV4
SCHEMBL1422211 0.85 L3MBTL3 (0.44) CCR5L3MBTL3L3MBTL1LMNAPOLB
SCHEMBL1083747 0.85 ACACB (0.49) CCR5L3MBTL3L3MBTL1IRAK4TRPV4

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 13 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
EP-2205583-A2 N-HETEROCYCLIC BIARYL CARBOXAMIDES AS CCR RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
WO-2009043747-A2 N-HETEROCYCLIC BIARYL CARBOXAMIDES AS CCR RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO 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-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 CCR5 5/4885L3MBTL3 1629/4885L3MBTL1 2710/4885

“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.