SCHEMBL4698906

SCHEMBL4698906

c1ccc(-c2nnn(-c3ccc(Cc4cccnc4)cc3)n2)nc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.73
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 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
SCHEMBL14424221 0.90 GRM5 (0.60) GRM5NPC1RAB9A
SCHEMBL4699294 0.85 GRM5 (1.00) GRM5
SCHEMBL4698877 0.82 GRM5 (0.74) GRM5NPC1RAB9A
SCHEMBL4699672 0.79 GRM5 (1.00) GRM5NPC1RAB9A
SCHEMBL4703402 0.79 GRM5 (0.73) GRM5NPC1RAB9A
SCHEMBL4701746 0.78 GRM5 (0.71) GRM5
SCHEMBL4699251 0.77 GRM5 (0.76) GRM5
SCHEMBL13683856 0.77 GRM5 (0.71) GRM5NPC1RAB9A
SCHEMBL4701030 0.76 GRM5 (0.75) GRM5
SCHEMBL3372897 0.76 GRM5 (0.66) GRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434773-B1 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2008-05-21 EP claimed
US-20040186295-A1 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK SHARP & DOHME LLC 2004-09-23 US claimed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO claimed

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-20040186295-A1 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 GRM5, GRM1, GRIK5 GRM5 1/4885NPC1 3418/4885RAB9A 1696/4885

“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.