SCHEMBL8906903

SCHEMBL8906903

COC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.47
▸ ITGB2 P05107 2/20 0.46
▸ ICAM1 P05362 2/20 0.46
▸ ITGAL P20701 2/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41

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
SCHEMBL6806998 0.85 ITGB2 (0.62) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL13187470 0.85 ITGB2 (0.49) HRH3ITGB2ICAM1ITGALCYP3A4
SCHEMBL12979930 0.83 ITGB2 (0.47) HRH3ITGB2ICAM1ITGALCYP3A4
SCHEMBL10122812 0.83 ITGB2 (0.47) HRH3ITGB2ICAM1ITGALCYP3A4
SCHEMBL888751 0.83 ITGB2 (0.47) HRH3ITGB2ICAM1ITGALCYP3A4
SCHEMBL19483449 0.82 CYP3A4 (0.47) HRH3ITGB2ICAM1ITGALCYP3A4
SCHEMBL19483446 0.82 CYP3A4 (0.47) HRH3ITGB2ICAM1ITGALCYP3A4
SCHEMBL10001165 0.81 CYP3A4 (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18814494 0.80 REN (0.49) HRH3ITGB2ICAM1ITGAL
SCHEMBL1486141 0.80 REN (0.49) HRH3ITGB2ICAM1ITGAL

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
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 — — US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 — — US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 — — US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 — — US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — 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 (5 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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 HRH3 3208/4885ITGB2 3816/4885ICAM1 2684/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 HRH3 3685/4885ITGB2 3765/4885ICAM1 939/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 HRH3 3578/4885ITGB2 3816/4885ICAM1 2378/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 HRH3 3341/4885ITGB2 4395/4885ICAM1 2681/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L HRH3 3216/4885ITGB2 3562/4885ICAM1 2070/4885

“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.

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