SCHEMBL10249974

SCHEMBL10249974

Cc1cccc(N2CCc3nc(-c4ccccn4)oc3C2)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.73
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL10250406 0.94 GRM5 (0.64) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL10249999 0.91 GRM5 (0.77) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL10249995 0.91 GRM5 (0.60) GRM5
SCHEMBL10250391 0.90 GRM5 (0.61) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL10250307 0.87 GRM5 (0.81) GRM5
SCHEMBL10250309 0.87 GRM5 (0.62) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL10250090 0.87 GRM5 (0.74) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL10250280 0.87 GRM5 (0.67) GRM5
SCHEMBL10250329 0.87 GRM5 (0.56) GRM5
SCHEMBL10253614 0.86 GRM5 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GRM5 1/4885KDM4E 2855/4885NPC1 1427/4885

“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.