SCHEMBL4409706

SCHEMBL4409706

Cc1cc(-c2cccc(C(F)(F)F)c2F)cnc1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 17/20 0.54
GRIN1 Q05586 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 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
SCHEMBL1420774 0.93 L3MBTL3 (0.46) GRIN2BGRIN1TDP1L3MBTL3L3MBTL1
SCHEMBL1424094 0.89 GRIN2B (0.50) GRIN2BGRIN1TDP1L3MBTL3L3MBTL1
SCHEMBL4406513 0.84 GRIN2B (0.49) GRIN2BGRIN1L3MBTL3L3MBTL1
SCHEMBL1421243 0.83 L3MBTL1 (0.44) GRIN2BGRIN1TDP1L3MBTL3L3MBTL1
SCHEMBL1421384 0.83 GRIN2B (0.52) GRIN2BGRIN1TDP1L3MBTL3L3MBTL1
SCHEMBL4411269 0.81 L3MBTL3 (0.43) GRIN2BGRIN1L3MBTL3L3MBTL1
SCHEMBL4409945 0.80 L3MBTL3 (0.43) L3MBTL3L3MBTL1
SCHEMBL1421305 0.79 L3MBTL3 (0.42) GRIN2BGRIN1L3MBTL3L3MBTL1
SCHEMBL1420729 0.79 L3MBTL1 (0.46) GRIN2BTDP1L3MBTL3L3MBTL1
SCHEMBL1420779 0.75 L3MBTL3 (0.49) 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 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 GRIN2B 491/4885GRIN1 634/4885TDP1 4439/4885

“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.