SCHEMBL513871

SCHEMBL513871

C(=C1\CCCNCC1)\c1noc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 5/20 0.42
SENP7 Q9BQF6 5/20 0.42
SENP6 Q9GZR1 4/20 0.42
POLB P06746 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
HTR7 P34969 1/20 0.40
SENP8 Q96LD8 3/20 0.39
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TP53 P04637 2/20 0.37
NOTUM Q6P988 1/20 0.36
USP7 Q93009 1/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
PRCP P42785 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL513870 1.00 CASP3 (0.42) CASP3SENP7SENP6POLBNR1H4
SCHEMBL513422 0.95 NR1H4 (0.45) CASP3SENP7SENP6POLBNR1H4
SCHEMBL513462 0.88 NR1H4 (0.44) CASP3SENP7SENP6POLBNR1H4
SCHEMBL513463 0.88 NR1H4 (0.44) CASP3SENP7SENP6POLBNR1H4
SCHEMBL514450 0.88 NR1H4 (0.44) CASP3SENP7SENP6POLBNR1H4
SCHEMBL513442 0.80 NR1H4 (0.47) CASP3SENP7SENP6POLBNR1H4
SCHEMBL512905 0.70 RAB9A (0.51) CASP3SENP7SENP6NR1H4HTR7
SCHEMBL14944038 0.69 HRH3 (0.40) HTR2C
SCHEMBL10475798 0.68 RAB9A (0.47) POLBHTR7SMN1; SMN2NPC1RAB9A
SCHEMBL14562709 0.67 NR1H4 (0.57) CASP3SENP7SENP6POLBNR1H4

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-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 CASP3 4165/4885SENP7 3588/4885SENP6 3354/4885

“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.