SCHEMBL890118

SCHEMBL890118

CC(=O)Cc1ccccc1CN(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 5/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6805430 0.85 L3MBTL1 (0.57) L3MBTL1ALDH1A1LMNAPOLBGAA
SCHEMBL753112 0.84 AKR1B1 (0.55) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
Benzene SCHEMBL10992898 0.83 L3MBTL1 (0.60) L3MBTL1ALDH1A1LMNAPOLBGAA
SCHEMBL8677022 0.81 POLB (0.46) L3MBTL1TSHRALDH1A1MEN1KMT2A
SCHEMBL888636 0.81 CYP1A2 (0.42) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL8915286 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL125255 0.80 ALDH1A1 (0.57) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL29729780 0.80 ALDH1A1 (0.57) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL8906082 0.79 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL7150622 0.79 L3MBTL1 (0.52) L3MBTL1ALDH1A1LMNAPOLBGAA

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
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP 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-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 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
US-5723398-A CATALYST OF METAL CYCLOPENTADIENYL COMPLEX FOR POLYMERIZATION THE DOW CHEMICAL COMPANY (US) 1998-03-03 US disclosed
US-5494874-A TITANIUM COMPLEXES WITH A COCATALYST AS POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-02-27 US disclosed
US-5374696-A Catalyzing the addition polymerization in presence of titanium metal complexes with cocatalysts THE DOW CHEMICAL COMPANY (US) 1994-12-20 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 (10 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 L3MBTL1 1834/4885SLC6A2 4023/4885SLC6A4 3135/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS L3MBTL1 2174/4885SLC6A2 3213/4885SLC6A4 2759/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS L3MBTL1 3763/4885SLC6A2 3918/4885SLC6A4 3788/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS L3MBTL1 3763/4885SLC6A2 3918/4885SLC6A4 3788/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS L3MBTL1 3763/4885SLC6A2 3918/4885SLC6A4 3788/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 L3MBTL1 1418/4885SLC6A2 3736/4885SLC6A4 3641/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS L3MBTL1 3763/4885SLC6A2 3918/4885SLC6A4 3788/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 L3MBTL1 2575/4885SLC6A2 2574/4885SLC6A4 3027/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS L3MBTL1 3763/4885SLC6A2 3918/4885SLC6A4 3788/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS L3MBTL1 3763/4885SLC6A2 3918/4885SLC6A4 3788/4885

“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.