SCHEMBL1422211

SCHEMBL1422211

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.44
L3MBTL1 Q9Y468 6/20 0.44
CCR5 P51681 1/20 0.43
NPY2R P49146 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40

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 0.85 CCR5 (0.51) L3MBTL3L3MBTL1CCR5NPY2RIRAK4
SCHEMBL1083710 0.82 CCR5 (0.48) L3MBTL3L3MBTL1CCR5NPY2RIRAK4
SCHEMBL1422379 0.81 L3MBTL3 (0.44) L3MBTL3L3MBTL1NPY2RIRAK4LMNA
SCHEMBL1083732 0.81 IRAK4 (0.45) L3MBTL3L3MBTL1CCR5NPY2RIRAK4
SCHEMBL1083693 0.81 ACACB (0.50) L3MBTL3L3MBTL1CCR5IRAK4TRPV4
SCHEMBL1083736 0.80 L3MBTL3 (0.44) L3MBTL3L3MBTL1CCR5NPY2RIRAK4
SCHEMBL1083747 0.80 ACACB (0.49) L3MBTL3L3MBTL1CCR5IRAK4TRPV4
SCHEMBL1083697 0.79 L3MBTL3 (0.50) L3MBTL3L3MBTL1CCR5IRAK4TRPV4
SCHEMBL4409709 0.79 ACACB (0.48) L3MBTL3L3MBTL1CCR5IRAK4TRPV4
SCHEMBL1083716 0.79 L3MBTL3 (0.58) L3MBTL3L3MBTL1TP53BP1L3MBTL4

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-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
EP-2297137-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
WO-2009153182-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153182-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO 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-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES CCR3, CCR2, CCR1 L3MBTL3 2613/4885L3MBTL1 3453/4885CCR5 5/4885

“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.