SCHEMBL135469

SCHEMBL135469

O=C(O)N1CCC2(CC(C#Cc3cccc(O)c3)=NO2)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
GRM5 P41594 9/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 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
SCHEMBL136091 0.89 GRM5 (0.39) GRM5KMT2A
SCHEMBL136537 0.88 GRM5 (0.41) GRM5
SCHEMBL320350 0.85 GPR119 (0.42) GRM5
SCHEMBL134475 0.82 GRM5 (0.43) GRM5
SCHEMBL133024 0.79 GRM5 (0.41) GRM5
SCHEMBL142408 0.79 FFAR1 (0.39) FFAR1GRM5
SCHEMBL135676 0.79 GRM5 (0.42) GRM5
SCHEMBL136332 0.79 GRM5 (0.42) GRM5
SCHEMBL136334 0.79 GRM5 (0.37) GRM5
SCHEMBL133993 0.78 GRM5 (0.40) FFAR1GRM5

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-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US disclosed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 FFAR1 425/4885GRM5 1/4885CA12 2775/4885

“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.