SCHEMBL512778

SCHEMBL512778

O=[N+]([O-])c1cccnc1N1CCC(=Cc2cc3ccc(F)cc3o2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.51
GRM5 P41594 7/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
HSD11B1 P28845 1/20 0.40

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
SCHEMBL513263 0.93 MAPT (0.53) MAPTMAPK1LMNAGRM5CYP1A2
SCHEMBL513522 0.88 LMNA (0.55) MAPTMAPK1LMNAGRM5CYP1A2
SCHEMBL513696 0.83 GRM5 (0.55) MAPTMAPK1LMNAGRM5CYP1A2
SCHEMBL512252 0.83 GRM5 (0.56) MAPTMAPK1LMNAGRM5CYP1A2
SCHEMBL513226 0.81 GRM5 (0.52) MAPTMAPK1LMNAGRM5CYP1A2
SCHEMBL512619 0.74 GRM5 (0.46) MAPTMAPK1LMNAGRM5CYP1A2
SCHEMBL513164 0.72 LMNA (0.49) MAPTMAPK1LMNAGRM5CYP1A2
SCHEMBL514927 0.72 MAPT (0.37) MAPTMAPK1LMNAGRM5ALDH1A1
SCHEMBL512929 0.72 GRM5 (0.42) MAPTMAPK1LMNAGRM5ALDH1A1
SCHEMBL3642550 0.71 GRM5 (0.77) MAPTMAPK1LMNAGRM5CYP1A2

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 MAPT 2573/4885MAPK1 3316/4885LMNA 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.