SCHEMBL9947401

SCHEMBL9947401

O=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H](Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.48
PPARA Q07869 1/20 0.45
EPHX1 P07099 1/20 0.43
HCRTR2 O43614 1/20 0.42
IDH1 O75874 4/20 0.41

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
SCHEMBL29516311 0.90 PPARA (0.43) PPARAIDH1
SCHEMBL1915787 0.89 PPARA (0.42) CHRM1PPARAIDH1
SCHEMBL1915789 0.89 PPARA (0.42) CHRM1PPARAIDH1
SCHEMBL8555423 0.89 GAA (0.46) CHRM1PPARAIDH1
SCHEMBL8555074 0.87 PPARA (0.47) CHRM1PPARAIDH1
SCHEMBL18152511 0.87 PPARA (0.39) CHRM1PPARA
SCHEMBL18152514 0.87 PPARA (0.39) CHRM1PPARA
SCHEMBL6421893 0.86 CYP2C19 (0.46) CHRM1PPARAIDH1
SCHEMBL5160821 0.86 CYP2C19 (0.46) CHRM1PPARAIDH1
SCHEMBL7350489 0.86 CYP2C19 (0.46) CHRM1PPARAIDH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 WO disclosed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 CHRM1 755/4885PPARA 399/4885EPHX1 1013/4885

“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.