SCHEMBL513462

SCHEMBL513462

C(=C1\CCNC1)\c1noc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.44
CASP3 P42574 5/20 0.42
SENP7 Q9BQF6 5/20 0.42
SENP6 Q9GZR1 4/20 0.42
SENP8 Q96LD8 3/20 0.42
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 2/20 0.39
HTR7 P34969 1/20 0.39
NOTUM Q6P988 1/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
PRCP P42785 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 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
SCHEMBL514450 1.00 NR1H4 (0.44) NR1H4CASP3SENP7SENP6SENP8
SCHEMBL513463 1.00 NR1H4 (0.44) NR1H4CASP3SENP7SENP6SENP8
SCHEMBL513422 0.93 NR1H4 (0.45) NR1H4CASP3SENP7SENP6SENP8
SCHEMBL513442 0.90 NR1H4 (0.47) NR1H4CASP3SENP7SENP6SENP8
SCHEMBL513871 0.88 CASP3 (0.42) NR1H4CASP3SENP7SENP6SENP8
SCHEMBL513870 0.88 CASP3 (0.42) NR1H4CASP3SENP7SENP6SENP8
SCHEMBL14562709 0.70 NR1H4 (0.57) NR1H4CASP3SENP7SENP6SENP8
SCHEMBL23830703 0.69 PNMT (0.43) MAOBPRCPHTR2C
SCHEMBL23850346 0.69 PNMT (0.43) MAOBPRCPHTR2C
SCHEMBL512905 0.67 RAB9A (0.51) NR1H4CASP3SENP7SENP6SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 NR1H4 503/4885CASP3 4165/4885SENP7 3588/4885

“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.