SCHEMBL4880266

SCHEMBL4880266

O=C(O)NC1CCCC(O)(C#Cc2cccc(F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.53
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL990045 0.90 GRM5 (0.54) GRM5
SCHEMBL990246 0.88 GRM5 (0.58) GRM5
SCHEMBL990042 0.87 GRM5 (0.52) GRM5
SCHEMBL5741401 0.85 GRM5 (0.52) GRM5KMT2A
SCHEMBL990810 0.84 ALDH1A1 (0.48) GRM5MEN1GAAKMT2ACHRM5
SCHEMBL990781 0.84 ALDH1A1 (0.48) GRM5MEN1GAAKMT2ACHRM5
SCHEMBL3627130 0.84 GRM5 (0.58) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL990768 0.83 GRM5 (0.47) GRM5CHRM5
SCHEMBL990890 0.83 GRM5 (0.47) GRM5CHRM5
SCHEMBL990772 0.83 GRM5 (0.60) GRM5NPC1RAB9AMEN1KMT2A

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-20080146647-A1 ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY NOVARTIS AG (CH) 2008-06-19 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-20080146647-A1 ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY GRM5, GRIK5, GRM1 GRM5 1/4885NPC1 1197/4885RAB9A 726/4885

“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.