SCHEMBL1750593

SCHEMBL1750593

CCCCCNC(=O)N(C)c1cccc(-c2ccc(C[C@H](OCC)C(=O)N3CCCCC3)cn2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
FLT3 P36888 2/20 0.34
TYRO3 Q06418 2/20 0.34
MERTK Q12866 2/20 0.34
GAS6 Q14393 2/20 0.34
KIFC1 Q9BW19 2/20 0.33
ADAM17 P78536 1/20 0.33
MAP4K4 O95819 1/20 0.33
P2RY12 Q9H244 2/20 0.32
PLG P00747 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
PTPN1 P18031 2/20 0.32

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
SCHEMBL5762207 1.00 CYP2D6 (0.34) CYP2D6NPC1ALDH1A1RAB9AFLT3
SCHEMBL1749618 0.93 QPCT (0.36) NPC1ALDH1A1RAB9AFLT3TYRO3
SCHEMBL1749924 0.92 MAP4K4 (0.36) NPC1ALDH1A1RAB9AFLT3TYRO3
SCHEMBL3949116 0.89 PTGS2 (0.36) PLGDRD2ADRA1ADRD3PTPN1
SCHEMBL1750943 0.87 PPARA (0.42) NPC1ALDH1A1RAB9A
SCHEMBL1750232 0.86 PPARA (0.42) NPC1ALDH1A1RAB9A
SCHEMBL1749698 0.86 NPC1 (0.38) NPC1ALDH1A1RAB9AFLT3TYRO3
SCHEMBL1749462 0.86 PPARA (0.42) NPC1ALDH1A1RAB9A
SCHEMBL1749615 0.86 NPC1 (0.37) NPC1ALDH1A1RAB9AFLT3TYRO3
SCHEMBL3947607 0.84 CYP2D6 (0.35) CYP2D6PLGDRD2ADRA1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP claimed
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-07-06 US claimed
US-8022079-B2 Methods of modulating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-09-20 US disclosed
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP disclosed
US-7968560-B2 Compounds that modulate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-28 US disclosed
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-30 US disclosed
US-20100099689-A1 METHODS OF MODULATING PPAR GAMMA-TYPE RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-22 US disclosed
US-7625914-B2 Compounds that modulate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-01 US disclosed
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-07-06 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 (3 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-20100099689-A1 METHODS OF MODULATING PPAR GAMMA-TYPE RECEPTORS PPARG, PPARA, PPARD CYP2D6 1325/4885NPC1 1004/4885ALDH1A1 484/4885
US-20060148862-A1 Novel compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA CYP2D6 832/4885NPC1 645/4885ALDH1A1 579/4885
US-20100247468-A1 Compounds that modulate PPAR gamma-type receptors and cosmetic/pharmaceutical compositions comprising said compounds PPARG, PPARD, PPARA CYP2D6 1048/4885NPC1 1012/4885ALDH1A1 578/4885

“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.