SCHEMBL721033

SCHEMBL721033

COc1ccc(N2C(=O)NC(=O)C23CCCCC3)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
MMP13 P45452 8/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
ALDH1A1 P00352 2/20 0.36
AR P10275 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL20340469 0.81 CYP17A1 (0.37) ALDH1A1MAPK1IDH1
SCHEMBL190640 0.79 ALDH1A1 (0.55) ALDH1A1NPC1SMN1; SMN2MAPK1MEN1
SCHEMBL201840 0.74 POLB (0.51) OPRM1ALDH1A1ARNPC1SMN1; SMN2
SCHEMBL719564 0.72 CYP11B1 (0.45) CHRNB2CHRNA4OPRM1OPRL1CHRNB4
SCHEMBL421867 0.71 AKR1B1 (0.37) OPRM1OPRL1MMP13ALDH1A1NPC1
SCHEMBL17077228 0.71 MAPT (0.45) OPRM1OPRL1ALDH1A1ARNPC1
SCHEMBL18961831 0.70 LMNA (0.46) OPRM1OPRL1MMP13SMN1; SMN2
Hydrochloric Acid SCHEMBL4989305 0.69 SMN1; SMN2 (0.43) CHRNB2CHRNA4OPRM1OPRL1ALDH1A1
SCHEMBL21198026 0.69 OPRM1 (0.48) CHRNB2CHRNA4OPRM1OPRL1CHRNB4
SCHEMBL2544529 0.69 MMP13 (0.46) OPRM1OPRL1MMP13SMN1; SMN2

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-8445523-B2 Dioxo-imidazolidine derivatives, which inhibit the enzyme SOAT-1, and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-21 US disclosed
EP-2401266-B1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2012-11-28 EP disclosed
US-20120052096-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-01 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-20120052096-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM SOAT1, SOAT2, ODC1 CHRNB2 4345/4885CHRNA4 4065/4885OPRM1 3713/4885

“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.