Sugi Predict

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SCHEMBL3585654

SCHEMBL3585654

COc1ccc2c(c1)CCCC2N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ OPRM1 P35372 7/20 0.58
▸ OPRD1 P41143 2/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ HSD11B1 P28845 2/20 0.57
▸ CHRM1 P11229 3/20 0.53
▸ CHRM2 P08172 2/20 0.53
▸ CHRM4 P08173 2/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ NPY5R Q15761 1/20 0.52
▸ OPRL1 P41146 2/20 0.51
▸ SLC18A3 Q16572 1/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ PLD2 O14939 1/20 0.49
▸ PLD1 Q13393 1/20 0.49
▸ TSHR P16473 1/20 0.48

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
SCHEMBL3590922 0.93 ALDH1A1 (0.61) ALDH1A1OPRM1OPRD1OPRK1HSD11B1
SCHEMBL3585649 0.87 CHRM1 (0.56) ALDH1A1OPRM1OPRD1OPRK1CHRM1
SCHEMBL3596759 0.85 POLB (0.60) ALDH1A1OPRM1OPRD1OPRK1CHRM1
SCHEMBL3587909 0.85 CHRM1 (0.63) ALDH1A1OPRM1OPRD1OPRK1CHRM1
SCHEMBL3584064 0.85 CHRM1 (0.63) ALDH1A1OPRM1OPRD1OPRK1CHRM1
SCHEMBL3595370 0.85 CHRM1 (0.63) ALDH1A1OPRM1OPRD1OPRK1CHRM1
SCHEMBL3597780 0.82 SIGMAR1 (0.57) ALDH1A1OPRM1HSD11B1CHRM1CHRM2
SCHEMBL3592740 0.82 ALDH1A1 (0.58) ALDH1A1OPRM1HSD11B1CHRM1CHRM2
SCHEMBL3591112 0.82 CHRM1 (0.65) ALDH1A1OPRM1OPRD1OPRK1CHRM1
SCHEMBL3590307 0.82 CHRM1 (0.56) ALDH1A1OPRM1OPRD1OPRK1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128154-B1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-08 — — EP disclosed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 — — US disclosed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 — — US disclosed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 — — US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 — — US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 — — US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 — — US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 — — EP 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 ALDH1A1 63/4885OPRM1 55/4885OPRD1 33/4885

“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.