SCHEMBL2887177

SCHEMBL2887177

O=C1O[C@]2(CC[C@H](c3nc4nc(-c5ccc(Cl)cc5)ncc4[nH]3)CC2)c2cnccc21

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.53
DGAT1 O75907 1/20 0.47

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
SCHEMBL2887180 1.00 NPY5R (0.53) NPY5RDGAT1
SCHEMBL1582115 0.92 NPY5R (0.58) NPY5R
SCHEMBL1582112 0.92 NPY5R (0.58) NPY5R
SCHEMBL1582540 0.91 NPY5R (0.55) NPY5R
SCHEMBL1582133 0.91 NPY5R (0.53) NPY5R
SCHEMBL1582136 0.91 NPY5R (0.53) NPY5R
SCHEMBL1582542 0.91 NPY5R (0.55) NPY5R
SCHEMBL2889427 0.91 NPY5R (0.51) NPY5RDGAT1
SCHEMBL2889425 0.91 NPY5R (0.51) NPY5RDGAT1
Water SCHEMBL5340136 0.91 NPY5R (0.54) NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040054177-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2004-03-18 US claimed
US-7803807-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-28 US disclosed
US-7687514-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2010-03-30 US disclosed
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MSD K.K. (JP) 2010-02-25 US disclosed
US-20060205750-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2006-09-14 US disclosed
US-7105526-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2006-09-12 US disclosed
US-20040054177-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2004-03-18 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-20040054177-A1 Novel benzimidazole derivatives OPRM1, OPRK1, HTR7 NPY5R 34/4885DGAT1 3894/4885
US-20060205750-A1 Novel benzimidazole derivatives NPY4R, NPY5R, NPY1R NPY5R 2/4885DGAT1 4105/4885
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES NPY4R, NPY5R, NPY1R NPY5R 2/4885DGAT1 4105/4885

“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.