SCHEMBL890117

SCHEMBL890117

CCN(CC)CC[C@H](NC(=O)OC)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PAOX Q6QHF9 1/20 0.33
▸ MAPT P10636 2/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ LMNA P02545 3/20 0.30
▸ ACACB O00763 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL890065 1.00 GAA (0.35) GAAL3MBTL1PAOXMAPTHRH3
SCHEMBL754074 0.86 LMNA (0.38) L3MBTL1MAPTCYP1A2CYP2D6LMNA
SCHEMBL10141027 0.85 CYP1A2 (0.33) GAAL3MBTL1MAPTHRH3CYP1A2
SCHEMBL8917506 0.85 CYP1A2 (0.33) GAAL3MBTL1MAPTHRH3CYP1A2
SCHEMBL8912048 0.83 MAPT (0.32) GAAL3MBTL1MAPTHRH3LMNA
SCHEMBL8907693 0.83 MAPT (0.32) GAAL3MBTL1MAPTHRH3LMNA
SCHEMBL8906714 0.82 GAA (0.33) GAAL3MBTL1MAPTHRH3LMNA
SCHEMBL19578134 0.82 CA2 (0.34) GAAL3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL10150853 0.82 GAA (0.33) GAAL3MBTL1MAPTHRH3LMNA
SCHEMBL19364745 0.81 MAPT (0.31) L3MBTL1MAPTHRH3LMNA

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 — — US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 — — US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 — — US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 — — 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-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 — — WO disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — 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 GAA 179/4885L3MBTL1 1834/4885PAOX 3598/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS GAA 638/4885L3MBTL1 2174/4885PAOX 4284/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GAA 223/4885L3MBTL1 3763/4885PAOX 3264/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 GAA 179/4885L3MBTL1 1834/4885PAOX 3598/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GAA 223/4885L3MBTL1 3763/4885PAOX 3264/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS GAA 223/4885L3MBTL1 3763/4885PAOX 3264/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 GAA 433/4885L3MBTL1 1418/4885PAOX 4077/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 GAA 701/4885L3MBTL1 2221/4885PAOX 4089/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 GAA 433/4885L3MBTL1 1418/4885PAOX 4077/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS GAA 223/4885L3MBTL1 3763/4885PAOX 3264/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 GAA 285/4885L3MBTL1 2575/4885PAOX 4088/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GAA 223/4885L3MBTL1 3763/4885PAOX 3264/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GAA 223/4885L3MBTL1 3763/4885PAOX 3264/4885

“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.

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