SCHEMBL4180733

SCHEMBL4180733

NC(=O)C(Cc1ccccc1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
CCR1 P32246 5/20 0.46
CYP1A2 P05177 1/20 0.46
DPP4 P27487 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TACR1 P25103 1/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SRR Q9GZT4 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43

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
SCHEMBL4022907 0.94 EPHX1 (0.46) EPHX1PLA2G10PLA2G2AALPIPKM
SCHEMBL6265947 0.94 EPHX1 (0.46) EPHX1PLA2G10PLA2G2AALPIPKM
SCHEMBL27832973 0.89 CPN1 (0.45) EPHX1PLA2G10PLA2G2AALPIPKM
SCHEMBL4156782 0.83 EPHX1 (0.43) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL4156781 0.83 EPHX1 (0.43) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL28164088 0.82 PPARG (0.46) EPHX1ALDH1A1LMNA
SCHEMBL19532597 0.81 RECQL (0.48) CYP1A2DPP4
SCHEMBL31381427 0.79 CPN1 (0.45) EPHX1PLA2G10PLA2G2ACCR1DPP4
SCHEMBL7424765 0.79 DPP4 (0.41) EPHX1CYP1A2DPP4ALDH1A1TACR1
SCHEMBL8638018 0.79 CYP2C9 (0.55) PLA2G10PLA2G2AALPIPKMPTGS1

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 EPHX1 2766/4885PLA2G10 2569/4885PLA2G2A 741/4885

“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.