SCHEMBL136560

SCHEMBL136560

Clc1cccc(C#CC2=NOC3(CNC3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.39
KCNH2 Q12809 1/20 0.38
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 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
SCHEMBL137073 0.90 GRM5 (0.36) GRM5KCNH2CHRNB2CHRNA4
SCHEMBL135527 0.87 GRM5 (0.38) GRM5KCNH2CHRNB2CHRNA4
SCHEMBL137178 0.85 GRM5 (0.40) GRM5KCNH2
SCHEMBL136721 0.85 GRM5 (0.40) GRM5KCNH2
SCHEMBL136818 0.84 GRM5 (0.39) GRM5KCNH2
SCHEMBL134877 0.84 GRM5 (0.36) GRM5
SCHEMBL136326 0.84 GRM5 (0.41) GRM5
SCHEMBL140719 0.84 FFAR1 (0.36) GRM5
SCHEMBL141553 0.83 APP (0.38) GRM5
SCHEMBL136360 0.83 GRM5 (0.41) GRM5KCNH2

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-2590985-B1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2014-05-14 EP disclosed
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 GRM5 1/4885KCNH2 994/4885CHRNB2 194/4885

“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.