SCHEMBL15024271

SCHEMBL15024271

Cc1cc(-c2nc(-c3ccc(F)c(C)c3)n(CC(=O)N3CCc4nc(N)sc4CC3)n2)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.64
GRIN2B Q13224 11/20 0.38
GRIN1 Q05586 3/20 0.38
CYP2C9 P11712 2/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2C19 P33261 1/20 0.38
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 3/20 0.37
DPP7 Q9UHL4 3/20 0.37

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
SCHEMBL15024266 0.95 GRM5 (0.72) GRM5
SCHEMBL15024530 0.91 GRM5 (0.63) GRM5GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL15024405 0.91 GRM5 (0.61) GRM5GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL15024519 0.90 GRM5 (0.60) GRM5GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL15024333 0.89 GRM5 (0.64) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15024518 0.89 GRM5 (0.60) GRM5GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL15024531 0.88 GRM5 (0.59) GRM5GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL15024497 0.88 GRM5 (0.58) GRM5GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL15024521 0.88 GRM5 (0.58) GRM5GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL15024272 0.88 GRM5 (0.58) GRM5GRIN2BGRIN1CYP2C9KCNH2

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-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150341-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GRM5 1/4885GRIN2B 8/4885GRIN1 4/4885

“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.