SCHEMBL2084731

SCHEMBL2084731

CCOc1cc(-c2cccc(N(C)C(=O)NCCc3cccc(OC)c3)c2)cc(OCC)c1CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CNR1 P21554 1/20 0.41
ROCK2 O75116 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL2084192 0.87 MTNR1A (0.44) OPRM1OPRD1OPRK1ROCK2MTNR1A
SCHEMBL2083300 0.81 FFAR1 (0.50) OPRM1OPRD1OPRK1ALDH1A1POLB
SCHEMBL4969923 0.80 HSD17B2 (0.48) ALDH1A1POLBFFAR1
SCHEMBL2085470 0.79 DRD2 (0.42) POLBMTNR1AMTNR1B
SCHEMBL4610356 0.78 FFAR1 (0.51) MTNR1AMTNR1BFFAR1
SCHEMBL2085835 0.77 LMNA (0.41) MTNR1AMTNR1BFFAR1
SCHEMBL4611227 0.76 KCNH2 (0.45) OPRM1OPRD1OPRK1ROCK2ALDH1A1
SCHEMBL2085517 0.76 FFAR1 (0.52) OPRM1OPRD1OPRK1ROCK2ALDH1A1
SCHEMBL2085519 0.76 KDM4E (0.51) OPRM1OPRD1OPRK1ROCK2FFAR1
SCHEMBL2085155 0.74 FFAR1 (0.49) MTNR1AMTNR1BFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US claimed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP claimed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US claimed
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD OPRM1 3222/4885OPRD1 2620/4885OPRK1 3317/4885

“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.