SCHEMBL3410176

SCHEMBL3410176

NCC1(Nc2ccccc2I)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
SIGMAR1 Q99720 10/20 0.36
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
SLC6A2 P23975 3/20 0.33
GRIN2D O15399 3/20 0.33
GRIN3B O60391 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN3A Q8TCU5 3/20 0.33
TAAR1 Q96RJ0 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 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
SCHEMBL3405649 0.73 DPP4 (0.46) DPP4SLC6A4SLC6A3SLC6A2GRIN2D
SCHEMBL3404013 0.72 CETP (0.35)
SCHEMBL3405957 0.71 CYP1A2 (0.33) DPP4SIGMAR1SLC6A4SLC6A3
SCHEMBL3407709 0.70 SIGMAR1 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3410556 0.69 CYP1A2 (0.50)
SCHEMBL3404994 0.68 CYP1A2 (0.49)
SCHEMBL11481504 0.66 SLC6A3 (0.57) DPP4SLC6A4SLC6A3SLC6A2TAAR1
SCHEMBL9954933 0.64 DPP4 (0.44) DPP4SLC6A4SLC6A3SLC6A2GRIN2D
SCHEMBL31441145 0.64 SLC6A3 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL15824244 0.63 DPP4 (0.43) DPP4SLC6A4SLC6A3SLC6A2GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197838-B1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2013-10-23 EP disclosed
US-8394990-B2 Phenylurea inhibitors of the enzyme SOAT-1 and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-03-12 US disclosed
US-20100197735-A1 NOVEL PHENYLUREA INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-08-05 US disclosed
EP-2197838-A1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-23 EP disclosed
WO-2009030746-A1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 WO 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-20100197735-A1 NOVEL PHENYLUREA INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, ACAT2 DPP4 1800/4885SIGMAR1 1334/4885SLC6A4 2508/4885

“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.