SCHEMBL513437

SCHEMBL513437

O=[N+]([O-])c1cccnc1N1CCC(=Cc2cn(-c3ccccc3)nn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.57
LMNA P02545 1/20 0.55
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 3/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSD11B1 P28845 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL512762 0.84 GRM5 (0.45) GRM5LMNACYP1A2CYP2C9CYP2C19
SCHEMBL512502 0.82 GRM5 (0.57) GRM5LMNACYP1A2CYP2C9CYP2C19
SCHEMBL14334739 0.76 MAPT (0.78) GRM5LMNACYP1A2CYP2C9CYP2C19
SCHEMBL6951312 0.73 LMNA (0.76) GRM5LMNACYP1A2CYP2C9CYP2C19
SCHEMBL3643034 0.73 GRM5 (0.62) GRM5LMNACYP1A2CYP2C9CYP2C19
SCHEMBL3643030 0.73 GRM5 (0.62) GRM5LMNACYP1A2CYP2C9CYP2C19
SCHEMBL781659 0.73 CYP1A2 (0.87) GRM5LMNACYP1A2CYP2C9CYP2C19
SCHEMBL3637637 0.72 GRM5 (1.00) GRM5LMNACYP1A2CYP2C9CYP2C19
SCHEMBL512907 0.72 GRM5 (0.70) GRM5LMNACYP1A2CYP2C9CYP2C19
SCHEMBL135679 0.72 LMNA (1.00) GRM5LMNACYP1A2CYP2C9CYP2C19

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 GRM5 2/4885LMNA 1601/4885CYP1A2 1668/4885

“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.