SCHEMBL8908543

SCHEMBL8908543

CN(C)C(C(=O)C(C)(C)C)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.45
OPRL1 P41146 8/20 0.45
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTOR P42345 1/20 0.40
RIPK1 Q13546 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
SCHEMBL8916649 0.85 RIPK1 (0.51) OPRM1OPRL1HDAC4HDAC7HDAC5
SCHEMBL10120515 0.83 ACP3 (0.41) OPRM1MEN1KMT2A
SCHEMBL890129 0.82 HDAC4 (0.47) OPRM1OPRL1HDAC4HDAC7HDAC5
SCHEMBL755740 0.82 MEN1 (0.48) OPRM1OPRL1HDAC4HDAC7HDAC5
SCHEMBL8907151 0.82 CES2 (0.48) CES2MEN1KMT2A
SCHEMBL8908482 0.81 ALDH1A1 (0.47) OPRM1OPRL1RIPK1
SCHEMBL13747630 0.81 TRPM8 (0.47) OPRM1OPRL1HDAC4HDAC7HDAC5
Hydrochloric Acid SCHEMBL7486109 0.81 HDAC4 (0.46) OPRM1OPRL1HDAC4HDAC7HDAC5
SCHEMBL23032354 0.80 HDAC4 (0.57) OPRM1OPRL1HDAC4HDAC7HDAC5
SCHEMBL8905685 0.80 ALDH1A1 (0.50) MEN1KMT2AMTOR

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 14 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-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-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-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 OPRM1 2113/4885OPRL1 2924/4885HDAC4 655/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 OPRM1 2113/4885OPRL1 2924/4885HDAC4 655/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 OPRM1 2146/4885OPRL1 3761/4885HDAC4 27/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 OPRM1 2113/4885OPRL1 2924/4885HDAC4 655/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 OPRM1 2184/4885OPRL1 3713/4885HDAC4 210/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 OPRM1 2228/4885OPRL1 3669/4885HDAC4 200/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 OPRM1 1999/4885OPRL1 3299/4885HDAC4 186/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L OPRM1 1983/4885OPRL1 3504/4885HDAC4 35/4885

“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.