SCHEMBL8909027

SCHEMBL8909027

CC(C)(C)[C@@H](c1ccccc1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.57
KCNH2 Q12809 8/20 0.57
CYP2D6 P10635 7/20 0.57
CYP1A2 P05177 5/20 0.57
CYP3A4 P08684 5/20 0.57
CYP2C19 P33261 5/20 0.57
CYP2C9 P11712 4/20 0.57
KCNE1 P15382 1/20 0.55
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRM1 P35372 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL11924817 1.00 KCNA5 (0.57) KCNA5KCNH2CYP2D6CYP1A2CYP3A4
SCHEMBL10120875 0.98 KCNA5 (0.59) KCNA5KCNH2CYP2D6CYP1A2CYP3A4
SCHEMBL8907960 0.98 KCNA5 (0.59) KCNA5KCNH2CYP2D6CYP1A2CYP3A4
SCHEMBL13015207 0.84 CYP2D6 (0.63) KCNA5KCNH2CYP2D6CYP3A4CYP2C19
SCHEMBL9366790 0.83 KCNA5 (0.55) KCNA5KCNH2CYP2D6CYP1A2CYP3A4
SCHEMBL11869847 0.82 KCNA5 (0.48) KCNA5KCNH2CYP2D6CYP1A2CYP3A4
SCHEMBL1753721 0.81 LMNA (0.44) KCNA5KCNH2CYP2D6CYP1A2CYP3A4
SCHEMBL31010334 0.80 KCNA5 (0.57) KCNA5KCNH2CYP2D6CYP1A2CYP3A4
SCHEMBL18782856 0.79 CYP1A2 (0.47) KCNA5KCNH2CYP2D6CYP1A2CYP3A4
SCHEMBL13649151 0.79 KCNA5 (0.73) KCNA5KCNH2CYP2D6CYP1A2CYP3A4

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 30 patents — showing the first 20. 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-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 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
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-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 (13 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNA5 3425/4885KCNH2 3278/4885CYP2D6 497/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS KCNA5 4014/4885KCNH2 2843/4885CYP2D6 365/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNA5 3425/4885KCNH2 3278/4885CYP2D6 497/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNA5 4477/4885KCNH2 3887/4885CYP2D6 594/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNA5 3425/4885KCNH2 3278/4885CYP2D6 497/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KCNA5 4126/4885KCNH2 3860/4885CYP2D6 478/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KCNA5 3286/4885KCNH2 3068/4885CYP2D6 365/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNA5 4121/4885KCNH2 3093/4885CYP2D6 639/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KCNA5 4126/4885KCNH2 3860/4885CYP2D6 478/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 KCNA5 4179/4885KCNH2 3812/4885CYP2D6 309/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNA5 3425/4885KCNH2 3278/4885CYP2D6 497/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNA5 3425/4885KCNH2 3278/4885CYP2D6 497/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KCNA5 3286/4885KCNH2 3068/4885CYP2D6 365/4885

“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.