SCHEMBL513207

SCHEMBL513207

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3noc(-c4cccc(C(F)(F)F)c4)n3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.38
SERPINE1 P05121 1/20 0.38
S1PR1 P21453 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
SCHEMBL512738 0.89 RXFP1 (0.43) RXFP1GAAGRM5TP53POLB
SCHEMBL512792 0.89 RXFP1 (0.52) RXFP1GAALMNAMAPTSMN1; SMN2
SCHEMBL513066 0.87 GRM5 (0.43) RXFP1GAALMNAMAPTSMN1; SMN2
SCHEMBL512774 0.87 GRM5 (0.45) RXFP1GAAMAPTGRM5TP53
SCHEMBL512868 0.86 CASP3 (0.43) RXFP1GAALMNAMAPTSMN1; SMN2
SCHEMBL512324 0.84 GRM5 (0.48) RXFP1GAAMAPTGRM5TP53
SCHEMBL512323 0.84 GRM5 (0.48) RXFP1GAAMAPTGRM5TP53
SCHEMBL512815 0.84 GRM5 (0.48) RXFP1GAAMAPTGRM5TP53
SCHEMBL512191 0.83 GRM5 (0.44) RXFP1GAAGRM5TP53POLB
SCHEMBL512885 0.83 GRM5 (0.46) RXFP1LMNAMAPTSMN1; SMN2GRM5

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 277/4885GAA 2812/4885LMNA 1601/4885

“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.