SCHEMBL22613632

SCHEMBL22613632

Cc1cc(C(=O)N2CC/C(=C\C#Cc3cccc(C#N)c3)C(C)(C)C2I)c(C)o1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.55
CYP1A2 P05177 1/20 0.42

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
SCHEMBL20599959 0.82 GRM5 (0.79) GRM5
SCHEMBL29915414 0.82 GRM5 (0.79) GRM5
SCHEMBL20616658 0.73 GRM5 (0.50) GRM5CYP1A2
SCHEMBL20599997 0.71 GRM5 (1.00) GRM5
SCHEMBL29915277 0.71 GRM5 (1.00) GRM5
SCHEMBL20599986 0.70 GRM5 (1.00) GRM5
SCHEMBL20599941 0.67 GRM5 (0.76) GRM5CYP1A2
SCHEMBL20599920 0.66 GRM5 (0.83) GRM5
SCHEMBL29915460 0.66 GRM5 (0.83) GRM5
SCHEMBL22619538 0.66 GRM5 (1.00) GRM5CYP1A2

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-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors Recordati Industria Chimica e Farmacentica S.p.A. (IT) 2022-09-13 US disclosed
US-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2020-11-05 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 (2 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-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS GRM5, GRIK5, GRM2 GRM5 1/4885CYP1A2 3556/4885
US-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors GRM5, GRIK5, GRM2 GRM5 1/4885CYP1A2 3556/4885

“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.