SCHEMBL10141141

SCHEMBL10141141

CC(=O)C(C(C)C)N(C)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRK1 P41145 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
HPGD P15428 1/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47

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
SCHEMBL7780731 0.88 MMP2 (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL304672 0.88 MMP2 (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL888878 0.85 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL17559606 0.85 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL17559603 0.85 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL10150881 0.83 ADRA2B (0.49) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL18901743 0.83 ADRA2B (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL890170 0.82 KMT2A (0.56) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL9267301 0.82 KMT2A (0.56) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL8907476 0.82 ADRA2B (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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 55 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-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US 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

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

For each of this compound's patents that has machine-readable text (14 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 ADRA2B 3523/4885ADRA2C 2974/4885SLC6A2 4023/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS ADRA2B 4238/4885ADRA2C 3658/4885SLC6A2 3213/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ADRA2B 3726/4885ADRA2C 2636/4885SLC6A2 3918/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ADRA2B 3763/4885ADRA2C 2598/4885SLC6A2 2574/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ADRA2B 3523/4885ADRA2C 2974/4885SLC6A2 4023/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ADRA2B 4041/4885ADRA2C 3479/4885SLC6A2 3736/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ADRA2B 4053/4885ADRA2C 3523/4885SLC6A2 3359/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ADRA2B 3763/4885ADRA2C 2598/4885SLC6A2 2574/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 ADRA2B 4152/4885ADRA2C 3538/4885SLC6A2 3543/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ADRA2B 3726/4885ADRA2C 2636/4885SLC6A2 3918/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ADRA2B 3763/4885ADRA2C 2598/4885SLC6A2 2574/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 ADRA2B 3720/4885ADRA2C 2580/4885SLC6A2 2606/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ADRA2B 3726/4885ADRA2C 2636/4885SLC6A2 3918/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ADRA2B 3726/4885ADRA2C 2636/4885SLC6A2 3918/4885

“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.