SCHEMBL29915375

SCHEMBL29915375

COC(=O)N1CC/C(=C\C#Cc2cccc(C)n2)C1(C)C

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.83
CYP1A2 P05177 6/20 0.64
CYP3A4 P08684 5/20 0.53
CACNA1C Q13936 1/20 0.53
SCN5A Q14524 1/20 0.53

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
SCHEMBL22619493 1.00 GRM5 (0.83) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL22619487 0.91 GRM5 (1.00) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL22619510 0.89 GRM5 (0.78) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL29915426 0.89 GRM5 (0.78) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL29915481 0.89 GRM5 (0.78) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL20616680 0.89 GRM5 (0.78) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL29915431 0.88 GRM5 (0.66) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL22619541 0.88 GRM5 (0.66) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL22619499 0.88 GRM5 (0.84) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL29915444 0.88 GRM5 (0.84) GRM5CYP1A2CYP3A4CACNA1CSCN5A

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-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
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

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-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors GRM5, GRIK5, GRM2 GRM5 1/4885CYP1A2 3556/4885CYP3A4 4025/4885

“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.