SCHEMBL4180735

SCHEMBL4180735

O=C(CCc1ccccc1)NC1CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.69
EPHX1 P07099 1/20 0.68
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
SIGMAR1 Q99720 1/20 0.57

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
SCHEMBL6700011 0.94 EPHX2 (0.62) EPHX2EPHX1HDAC2HDAC8HDAC6
SCHEMBL4022912 0.94 EPHX2 (0.62) EPHX2EPHX1HDAC2HDAC8HDAC6
SCHEMBL28554753 0.93 EPHX2 (0.80) EPHX2EPHX1
SCHEMBL17705940 0.93 EPHX2 (0.75) EPHX2EPHX1HDAC2HDAC8HDAC6
SCHEMBL3455859 0.92 EPHX2 (0.83) EPHX2EPHX1
SCHEMBL13169536 0.92 EPHX2 (0.83) EPHX2EPHX1
SCHEMBL23395780 0.90 EPHX2 (0.85) EPHX2EPHX1HDAC2HDAC8HDAC6
SCHEMBL6009189 0.89 EPHX2 (0.61) EPHX2EPHX1HDAC2HDAC8HDAC6
SCHEMBL6254027 0.89 EPHX2 (0.61) EPHX2EPHX1HDAC2HDAC8HDAC6
SCHEMBL27904589 0.88 SIGMAR1 (0.60) EPHX2EPHX1SIGMAR1

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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 EPHX2 3812/4885EPHX1 2766/4885HDAC2 1485/4885

“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.