SCHEMBL15033939

SCHEMBL15033939

Cc1cc(-c2cn(-c3ccccc3)c(CC(=O)N3CCc4nc(N)sc4CC3)n2)ccc1F

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.70
ALDH1A1 P00352 1/20 0.39
SRC P12931 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ENPP2 Q13822 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL15033955 0.94 GRM5 (0.63) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033997 0.92 GRM5 (0.69) GRM5ALDH1A1SRCNPC1RAB9A
SCHEMBL15033968 0.86 GRM5 (0.54) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033931 0.85 GRM5 (0.62) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033937 0.85 GRM5 (0.49) GRM5ALDH1A1NPC1RAB9A
SCHEMBL15033963 0.84 GRM5 (0.49) GRM5ALDH1A1RAB9AENPP2DPP4
SCHEMBL15033974 0.84 GRM5 (0.50) GRM5ALDH1A1RAB9AENPP2DPP4
SCHEMBL15025606 0.82 GRM5 (1.00) GRM5
SCHEMBL15033972 0.80 GRM5 (0.62) GRM5ALDH1A1SRCNPC1RAB9A
SCHEMBL15033949 0.80 GRM5 (0.46) GRM5ALDH1A1RAB9A

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-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-20130158011-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GRM5 1/4885ALDH1A1 3660/4885SRC 4087/4885

“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.