SCHEMBL10125318

SCHEMBL10125318

CC(C)[C@@H](c1ccccc1)N1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.77
CYP2D6 P10635 6/20 0.77
CYP3A4 P08684 6/20 0.77
CYP2C19 P33261 6/20 0.77
CYP1A2 P05177 5/20 0.77
CYP2C9 P11712 4/20 0.77
KCNH2 Q12809 4/20 0.77
KCNE1 P15382 2/20 0.77
MAOB P27338 1/20 0.55
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
MC4R P32245 1/20 0.44

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
SCHEMBL11587497 1.00 KCNA5 (0.77) KCNA5CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL10125332 0.98 KCNA5 (0.76) KCNA5CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL16226493 0.87 KCNA5 (1.00) KCNA5CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL16227210 0.87 KCNA5 (1.00) KCNA5CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL16227209 0.87 KCNA5 (1.00) KCNA5CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL9365972 0.87 KCNA5 (0.69) KCNA5CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL11118177 0.85 CYP2C19 (0.71) KCNA5CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL14269710 0.84 KCNA5 (0.73) KCNA5CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL18901676 0.82 CYP2C19 (0.70) KCNA5CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL12587705 0.82 KCNA5 (0.80) KCNA5CYP2D6CYP3A4CYP2C19CYP1A2

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-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 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 (2 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-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNA5 3425/4885CYP2D6 497/4885CYP3A4 56/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 KCNA5 4179/4885CYP2D6 309/4885CYP3A4 87/4885

“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.