SCHEMBL4256779

SCHEMBL4256779

O=C(O)C1=CCN(c2nccc(C(=O)O)c2[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.39
LMNA P02545 1/20 0.37
RORC P51449 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4863967 0.81 TRPV1 (0.46) TRPV1RORCKMT2A
SCHEMBL4256775 0.81 LMNA (0.61) TRPV1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4869497 0.78 TRPV1 (0.45) TRPV1RORC
SCHEMBL782123 0.72 MAPT (0.44) TRPV1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL1253664 0.72 TRPV1 (0.67) TRPV1RORC
SCHEMBL1250889 0.69 TRPV1 (0.68) TRPV1RORC
SCHEMBL3815501 0.68 TRPV1 (0.54) TRPV1LMNARORCCYP2C19
SCHEMBL4263851 0.66 GRM5 (0.64) LMNACYP1A2CYP2C9CYP2C19
SCHEMBL15758083 0.66 ASPH (0.55)
SCHEMBL31693360 0.66 ASPH (0.55)

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-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 TRPV1 112/4885LMNA 3472/4885RORC 2275/4885

“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.