SCHEMBL8917352

SCHEMBL8917352

CCC(=O)C(c1ccccn1)N(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
CYP1A2 P05177 2/20 0.60
TSHR P16473 3/20 0.49
CYP2C19 P33261 2/20 0.47
KCNA5 P22460 3/20 0.46
KCNH2 Q12809 1/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 3/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
RAB9A P51151 1/20 0.45
CYP2D6 P10635 1/20 0.44
KCNE1 P15382 1/20 0.44
CHRM2 P08172 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SCN1A P35498 1/20 0.43

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
SCHEMBL890236 0.83 TSHR (0.47) ALDH1A1CYP1A2TSHRCYP2C19KCNA5
SCHEMBL755732 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRCYP2C19KCNA5
SCHEMBL19578000 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2TSHRCYP2C19KCNA5
SCHEMBL13747766 0.81 TSHR (0.46) ALDH1A1CYP1A2TSHRCYP2C19KCNA5
SCHEMBL888725 0.80 CYP3A4 (0.46) ALDH1A1CYP1A2TSHRCYP2C19KCNA5
SCHEMBL14665155 0.79 ALDH1A1 (0.64) ALDH1A1CYP1A2TSHRCYP2C19KCNA5
SCHEMBL8907264 0.79 CYP2C19 (0.59) ALDH1A1CYP1A2TSHRCYP2C19KCNA5
SCHEMBL28762519 0.78 ALDH1A1 (0.62) ALDH1A1CYP1A2TSHRCYP2C19KCNA5
SCHEMBL10501886 0.78 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRCYP2C19KCNA5
SCHEMBL8921081 0.75 ALDH1A1 (0.46) ALDH1A1CYP1A2KCNH2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO 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
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO 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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 229/4885CYP1A2 240/4885TSHR 4689/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALDH1A1 287/4885CYP1A2 390/4885TSHR 4730/4885

“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.