Sugi Predict

Sugi Predict / Compounds / SCHEMBL18547464

SCHEMBL18547464

SCHEMBL18547464

COC(=O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ CACNB4 O00305 1/20 0.39
▸ CACNA1A O00555 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNG3 O60359 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNB3 P54284 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNG7 P62955 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNB1 Q02641 1/20 0.39
▸ CACNG1 Q06432 1/20 0.39
▸ CACNB2 Q08289 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ CACNA1E Q15878 1/20 0.39
▸ CACNA2D4 Q7Z3S7 1/20 0.39
▸ CACNA2D3 Q8IZS8 1/20 0.39

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
SCHEMBL18547463 1.00 ALDH1A1 (0.42) ALDH1A1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15599533 0.87 ALDH1A1 (0.53) ALDH1A1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL18547294 0.86 CNR1 (0.51) ALDH1A1DCTPP1MAPTMAPK1HTT
SCHEMBL20679657 0.85 CACNB4 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL18547778 0.85 DCTPP1 (0.42) ALDH1A1DCTPP1MAPTMAPK1HCAR3
SCHEMBL18547209 0.85 CACNB4 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL18547208 0.85 CACNB4 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL18546903 0.84 CNR1 (0.41) ALDH1A1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL18547328 0.82 PHGDH (0.40) ALDH1A1DCTPP1MAPTMAPK1GAA
SCHEMBL20679655 0.82 CACNB4 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 — — US disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 — — US disclosed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — WO disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — 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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 ALDH1A1 528/4885CACNB4 1017/4885CACNA1A 703/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 ALDH1A1 517/4885CACNB4 1022/4885CACNA1A 707/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 ALDH1A1 517/4885CACNB4 1022/4885CACNA1A 707/4885

“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.