SCHEMBL4411269

SCHEMBL4411269

Cc1cc(-c2cc(C(F)(F)F)ccc2Cl)cnc1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 8/20 0.43
L3MBTL1 Q9Y468 7/20 0.43
NPY2R P49146 1/20 0.42
MET P08581 3/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CCR2 P41597 1/20 0.40
ALK Q9UM73 1/20 0.39
MBTD1 Q05BQ5 4/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL1421243 0.90 L3MBTL1 (0.44) L3MBTL3L3MBTL1METGRIN1GRIN2B
SCHEMBL1423850 0.89 ALK (0.42) L3MBTL3L3MBTL1NPY2RMETGRIN1
SCHEMBL1421305 0.88 L3MBTL3 (0.42) L3MBTL3L3MBTL1GRIN1GRIN2BCCR2
SCHEMBL1421384 0.84 GRIN2B (0.52) L3MBTL3L3MBTL1GRIN1GRIN2B
SCHEMBL1420774 0.82 L3MBTL3 (0.46) L3MBTL3L3MBTL1GRIN1GRIN2BALK
SCHEMBL1420779 0.82 L3MBTL3 (0.49) L3MBTL3L3MBTL1METCYP3A4CYP2D6
SCHEMBL4409706 0.81 GRIN2B (0.54) L3MBTL3L3MBTL1GRIN1GRIN2B
SCHEMBL1420729 0.80 L3MBTL1 (0.46) L3MBTL3L3MBTL1GRIN2BMBTD1TP53BP1
SCHEMBL1424296 0.79 ALOX5AP (0.42) L3MBTL3L3MBTL1METGRIN1GRIN2B
SCHEMBL1421129 0.79 MET (0.43) L3MBTL3L3MBTL1METCCR2ALOX5AP

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 7 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
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

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 3453/4885NPY2R 262/4885

“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.