SCHEMBL4699209

SCHEMBL4699209

Fc1cc(Oc2cccnc2)cc(-n2nnc(-c3nccs3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.68
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KMT2A Q03164 2/20 0.57
PKM P14618 2/20 0.57
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
FFAR4 Q5NUL3 2/20 0.47
SYK P43405 1/20 0.42

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
SCHEMBL4704750 0.85 GRM5 (0.80) GRM5NPC1RAB9AFFAR4
SCHEMBL6174223 0.82 GRM5 (0.65) GRM5
SCHEMBL4297614 0.81 GRM5 (1.00) GRM5
SCHEMBL4700293 0.81 GRM5 (0.74) GRM5NPC1RAB9AFFAR4
SCHEMBL4699413 0.81 GRM5 (0.73) GRM5FFAR4
SCHEMBL4703375 0.80 GRM5 (0.70) GRM5NPC1RAB9AFFAR4
SCHEMBL14424223 0.79 GRM5 (0.76) GRM5FFAR4
SCHEMBL4699561 0.79 GRM5 (0.67) GRM5NPC1RAB9APKMKDM4E
SCHEMBL6684806 0.78 GRM5 (0.73) GRM5NPC1RAB9AFFAR4
SCHEMBL4700160 0.78 GRM5 (0.73) GRM5NPC1RAB9AFFAR4

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 5 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
US-7253190-B2 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK & CO., INC. (US) 2007-08-07 US disclosed
US-7253190-B2 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK & CO., INC. (US) 2007-08-07 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-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.