SCHEMBL15465495

SCHEMBL15465495

C/C(=N\OCCCc1cccc(C#CC=O)n1)c1cccc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.37
CYP1A2 P05177 8/20 0.37
CYP3A4 P08684 6/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL4537059 0.84 HSP90AA1 (0.35) GRM5
SCHEMBL874610 0.82 HSP90AA1 (0.35) GRM5
SCHEMBL874316 0.82 HSP90AA1 (0.35) GRM5
SCHEMBL882995 0.80 P2RX7 (0.40) GRM5CYP1A2
SCHEMBL5020366 0.80 CCR1 (0.41) GRM5
SCHEMBL10273698 0.79 HSP90AA1 (0.38) GRM5CYP1A2
SCHEMBL882894 0.79 HSP90AA1 (0.38) GRM5
SCHEMBL882865 0.79 HSP90AA1 (0.38) GRM5
SCHEMBL5020358 0.78 HSP90AA1 (0.36)
SCHEMBL5020378 0.78 GRM5 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 GRM5 1821/4885CYP1A2 550/4885CYP3A4 2293/4885

“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.