Sugi Predict

Sugi Predict / Compounds / SCHEMBL3590307

SCHEMBL3590307

SCHEMBL3590307

Cc1ccc2c(c1)C(N1CCC(n3c(=O)[nH]c4ccccc43)CC1)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 9/20 0.56
▸ CHRM2 P08172 6/20 0.56
▸ CHRM4 P08173 5/20 0.56
▸ CHRM3 P20309 4/20 0.56
▸ OPRL1 P41146 4/20 0.56
▸ OPRM1 P35372 3/20 0.56
▸ DRD2 P14416 2/20 0.56
▸ ADRA1D P25100 2/20 0.56
▸ ADRA1A P35348 2/20 0.56
▸ ADRA1B P35368 2/20 0.56
▸ CACNA1F O60840 1/20 0.56
▸ DRD1 P21728 1/20 0.56
▸ DRD4 P21917 1/20 0.56
▸ HTR7 P34969 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ CACNA1D Q01668 1/20 0.56
▸ CACNA1S Q13698 1/20 0.56
▸ CACNA1C Q13936 1/20 0.56

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
SCHEMBL13343505 0.94 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL3585649 0.92 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL3598297 0.88 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL3583488 0.88 POLB (0.60) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL3590922 0.87 ALDH1A1 (0.61) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL3584064 0.87 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL3595370 0.87 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL3587909 0.87 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL3591112 0.84 CHRM1 (0.65) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL3596759 0.82 POLB (0.60) CHRM1CHRM2CHRM4CHRM3OPRL1

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 CHRM1 300/4885CHRM2 722/4885CHRM4 527/4885

“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.