SCHEMBL3407709

SCHEMBL3407709

NC(=O)C1(Nc2ccccc2I)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.40
GRIN2D O15399 4/20 0.37
GRIN3B O60391 4/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2A Q12879 4/20 0.37
GRIN2B Q13224 4/20 0.37
GRIN2C Q14957 4/20 0.37
GRIN3A Q8TCU5 4/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
P2RX7 Q99572 1/20 0.34
CYP1A2 P05177 1/20 0.34
CETP P11597 1/20 0.34

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
SCHEMBL28105514 0.79 CYP2D6 (0.61) SIGMAR1OPRL1ALDH1A1CYP2D6
SCHEMBL27750414 0.77 HPGD (0.38) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1531618 0.76 CYP1A2 (0.51) OPRL1ALDH1A1CYP2D6P2RX7CYP1A2
SCHEMBL2542108 0.75 CYP1A2 (0.50) OPRL1ALDH1A1CYP2D6CYP1A2
SCHEMBL3407690 0.73 CYP1A2 (0.49) SIGMAR1OPRL1P2RX7CYP1A2
SCHEMBL3410176 0.70 DPP4 (0.38) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2148591 0.69 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1531517 0.68 CA12 (0.51) ALDH1A1CYP2D6CYP1A2
SCHEMBL6981631 0.68 OPRL1 (0.40) SIGMAR1OPRL1ALDH1A1CYP2D6P2RX7
SCHEMBL3404013 0.67 CETP (0.35) ALDH1A1CETP

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 SIGMAR1 1334/4885GRIN2D 4802/4885GRIN3B 4675/4885

“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.