SCHEMBL1914003

SCHEMBL1914003

[2H]c1c([2H])c(C#Cc2c[nH]c([C@@H]3C[C@H](C)CN3C(=O)OC(C)(C)C)n2)c([2H])c([2H])c1C#Cc1c[nH]c([C@@H]2C[C@H](C)CN2C(=O)O)n1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.30

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
SCHEMBL14790434 0.96 GRM5 (0.32) GRM5
SCHEMBL13505513 0.93 GRM5 (0.33) GRM5
SCHEMBL14790473 0.84 GABRA5 (0.35) GRM5
SCHEMBL14777107 0.82
SCHEMBL2450986 0.82 CYP2C9 (0.32)
SCHEMBL1914679 0.79
SCHEMBL14777253 0.78 GRM5 (0.31) GRM5
SCHEMBL14777251 0.78 GRM5 (0.31) GRM5
SCHEMBL12332889 0.78 CYP2C9 (0.33)
SCHEMBL14790476 0.77 UCHL1 (0.39) GRM5

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
US-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 US disclosed
EP-2515902-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2012-10-31 EP disclosed
WO-2011079327-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 WO 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-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, IRF3, IFNAR1 GRM5 2349/4885

“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.