SCHEMBL1420752

SCHEMBL1420752

Cc1cc(Br)cnc1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 18/20 0.60
L3MBTL1 Q9Y468 16/20 0.60
L3MBTL4 Q8NA19 3/20 0.60
MBTD1 Q05BQ5 7/20 0.51
OPRK1 P41145 1/20 0.50
TP53BP1 Q12888 2/20 0.49

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
SCHEMBL19744173 0.87 HPGD (0.48) L3MBTL3L3MBTL1L3MBTL4
SCHEMBL1085278 0.80 L3MBTL3 (0.65) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL1420779 0.78 L3MBTL3 (0.49) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL1085344 0.77 L3MBTL3 (0.72) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL23682640 0.75 L3MBTL3 (1.00) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL1421384 0.74 GRIN2B (0.52) L3MBTL3L3MBTL1
SCHEMBL1420774 0.74 L3MBTL3 (0.46) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL1420729 0.74 L3MBTL1 (0.46) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL4406513 0.74 GRIN2B (0.49) L3MBTL3L3MBTL1
SCHEMBL4409706 0.73 GRIN2B (0.54) 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 4 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
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
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 3453/4885L3MBTL4 3675/4885

“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.