SCHEMBL512792

SCHEMBL512792

Cc1cccc(-c2nc(C=C3CCN(c4nc(C)ccc4[N+](=O)[O-])CC3)no2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
GRM5 P41594 4/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL512738 0.91 RXFP1 (0.43) RXFP1GRM5POLBTP53GAA
SCHEMBL513066 0.91 GRM5 (0.43) RXFP1GRM5POLBTP53GAA
SCHEMBL512774 0.91 GRM5 (0.45) RXFP1GRM5POLBTP53GAA
SCHEMBL512868 0.90 CASP3 (0.43) RXFP1GRM5POLBTP53GAA
SCHEMBL513207 0.89 RXFP1 (0.41) RXFP1GRM5POLBTP53GAA
SCHEMBL512324 0.88 GRM5 (0.48) RXFP1GRM5POLBTP53GAA
SCHEMBL512815 0.88 GRM5 (0.48) RXFP1GRM5POLBTP53GAA
SCHEMBL512323 0.88 GRM5 (0.48) RXFP1GRM5POLBTP53GAA
SCHEMBL513633 0.87 GRM5 (0.47) RXFP1GRM5POLBTP53GAA
SCHEMBL513137 0.87 GRM5 (0.47) RXFP1GRM5POLBTP53GAA

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 3 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 claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US claimed
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 RXFP1 277/4885GRM5 2/4885POLB 2550/4885

“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.