SCHEMBL513982

SCHEMBL513982

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3csc(-c4ccco4)n3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.42
PIM1 P11309 1/20 0.41
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.34
NTMT1 Q9BV86 1/20 0.33
LMNA P02545 5/20 0.33
HTR6 P50406 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EED O75530 1/20 0.32

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
SCHEMBL512736 0.85 GRM5 (0.45) GRM5PIM1CYP3A4ALDH1A1MAPT
SCHEMBL512328 0.83 GRM5 (0.48) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512205 0.81 GRM5 (0.42) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL513266 0.79 GRM5 (0.43) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512878 0.75 GRM5 (0.44) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL513213 0.75 GRM5 (0.42) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL513168 0.75 GRM5 (0.42) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512762 0.71 GRM5 (0.45) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512866 0.71 GRM5 (0.48) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512658 0.71 GRM5 (0.48) 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 2 patents. 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 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 GRM5 2/4885PIM1 4820/4885CYP3A4 1085/4885

“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.