SCHEMBL512866

SCHEMBL512866

Cc1cc(C=C2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)on1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.48
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL513301 0.87 GRM5 (0.44) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512658 0.83 GRM5 (0.48) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512619 0.81 GRM5 (0.46) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL514928 0.79 GRM5 (0.46) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL513099 0.79 GRM5 (0.44) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512878 0.79 GRM5 (0.44) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL514979 0.78 GRM5 (0.48) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL513812 0.78 GRM5 (0.45) GRM5CYP3A4MAPTPOLBTP53
SCHEMBL512774 0.78 GRM5 (0.45) GRM5CYP3A4MAPTPOLBTP53
SCHEMBL512805 0.78 GRM5 (0.45) GRM5CYP3A4ALDH1A1MAPTMAPK1

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 4 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
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 GRM5 2/4885CYP3A4 1085/4885ALDH1A1 2610/4885

“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.