SCHEMBL8907259

SCHEMBL8907259

CN(C)C(C(=O)C(C)(C)C)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.44
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL753967 0.82 SMN1; SMN2 (0.49) KCNA5OPRM1OPRD1ALDH1A1MAPK1
SCHEMBL890184 0.82 POLB (0.46) KCNA5OPRM1OPRD1ALDH1A1MAPK1
SCHEMBL14853051 0.81 SMN1; SMN2 (0.43) KCNA5OPRM1OPRD1ALDH1A1MAPK1
SCHEMBL5404433 0.81 TRPM8 (0.50) KCNA5OPRM1OPRD1ALDH1A1MAPK1
SCHEMBL8907267 0.80 CYP2C19 (0.36) ALDH1A1CYP3A4CYP2C19SMN1; SMN2LMNA
SCHEMBL13224056 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8905685 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19334232 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL888851 0.79 SMN1; SMN2 (0.44) KCNA5OPRM1OPRD1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL2673895 0.79 TRPM8 (0.49) KCNA5OPRM1OPRD1ALDH1A1MAPK1

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 13 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-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNA5 4477/4885OPRM1 2113/4885OPRD1 2884/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNA5 4477/4885OPRM1 2113/4885OPRD1 2884/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNA5 3425/4885OPRM1 2146/4885OPRD1 2068/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNA5 4477/4885OPRM1 2113/4885OPRD1 2884/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNA5 4121/4885OPRM1 2184/4885OPRD1 2565/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KCNA5 4126/4885OPRM1 2228/4885OPRD1 2517/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 KCNA5 4179/4885OPRM1 1999/4885OPRD1 2214/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KCNA5 3286/4885OPRM1 1983/4885OPRD1 2182/4885

“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.