SCHEMBL5490200

SCHEMBL5490200

C=C[CH]c1cn(CCCCC)nn1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.44
GBA1 P04062 12/20 0.41
EPHX2 P34913 1/20 0.38

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
SCHEMBL28267000 0.79 SMPD1 (0.52) SMPD1GBA1EPHX2
SCHEMBL626456 0.75 SMPD1 (0.44) SMPD1GBA1EPHX2
SCHEMBL1165614 0.74 GBA1 (0.50) SMPD1GBA1EPHX2
SCHEMBL16526395 0.72 SMPD1 (0.51) SMPD1GBA1
SCHEMBL24674920 0.71 EPHX2 (0.55) SMPD1GBA1EPHX2
SCHEMBL544804 0.70 SMPD1 (0.54) SMPD1GBA1
SCHEMBL5021078 0.70 GBA1 (0.56) SMPD1GBA1EPHX2
SCHEMBL16263567 0.70 SMPD1 (0.54) SMPD1GBA1
SCHEMBL14289745 0.70 SMPD1 (0.54) SMPD1GBA1
SCHEMBL22054908 0.70 EPHX2 (0.57) GBA1EPHX2

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-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1720860-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-15 EP disclosed
WO-2005080379-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 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-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 SMPD1 4188/4885GBA1 2211/4885EPHX2 2100/4885

“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.