SCHEMBL2544529

SCHEMBL2544529

O=C1NC(=O)C2(CCCC2)N1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.46
MCHR1 Q99705 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
SLC6A9 P48067 1/20 0.43
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.40
QPCT Q16769 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PRCP P42785 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL18961831 0.98 LMNA (0.46) MMP13MCHR1LMNAGAAALOX12
SCHEMBL25249651 0.96 MMP13 (0.46) MMP13MCHR1LMNAGAAALOX12
SCHEMBL8811652 0.86 HSD17B10 (0.58) MMP13MCHR1OPRM1HSD17B10BACE1
SCHEMBL17082980 0.83 MAPT (0.45) MMP13LMNAGAAALOX12OPRM1
SCHEMBL9497177 0.83 MCHR1 (0.46) MMP13MCHR1GAAOPRM1OPRL1
SCHEMBL17077228 0.81 MAPT (0.45) OPRM1OPRL1SLC6A9MAPTKCNH2
SCHEMBL201840 0.81 POLB (0.51) OPRM1SLC6A9MAPTSMN1; SMN2
SCHEMBL421867 0.81 AKR1B1 (0.37) MMP13MCHR1LMNAGAAALOX12
SCHEMBL719564 0.79 CYP11B1 (0.45) OPRM1OPRL1SLC6A9
SCHEMBL9495770 0.78 MCHR1 (0.65) MCHR1OPRM1OPRL1HSD17B10BACE1

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
EP-2197850-B1 DERIVATIVES OF N-PHENYLACETAMIDE, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2013-06-26 EP disclosed
US-8044082-B2 N-phenylacetamide inhibitors of the enzyme SOAT-1 and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-10-25 US disclosed
US-20100247583-A1 NOVEL N-PHENYLACETAMIDE INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-30 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-20100247583-A1 NOVEL N-PHENYLACETAMIDE INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, NAT1 MMP13 1251/4885MCHR1 2885/4885LMNA 4740/4885

“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.