SCHEMBL890076

SCHEMBL890076

CC(=O)Cc1ccccc1CN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.59
CYP2C9 P11712 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL304670 0.86 CYP2A13 (0.57) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL890075 0.85 MEN1 (0.54) CYP2D6ALDH1A1KMT2AKDM4EMEN1
SCHEMBL10150886 0.85 CYP2A13 (0.56) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL888767 0.85 CYP2A13 (0.56) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL890107 0.84 KMT2A (0.56) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL2627962 0.84 CYP2A13 (0.55) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL8907096 0.84 CYP2A13 (0.55) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL11193326 0.83 CYP2A13 (0.75) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL890092 0.83 SMN1; SMN2 (0.51) ALOX15CYP3A4CYP2D6ALDH1A1KMT2A
SCHEMBL4108619 0.82 CYP2A13 (0.69) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
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-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-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

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 CYP2A13 371/4885CYP2C9 324/4885ALOX15 3188/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS CYP2A13 316/4885CYP2C9 156/4885ALOX15 2375/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2A13 1819/4885CYP2C9 2585/4885ALOX15 2436/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP2A13 296/4885CYP2C9 350/4885ALOX15 2352/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2A13 371/4885CYP2C9 324/4885ALOX15 3188/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP2A13 1819/4885CYP2C9 2585/4885ALOX15 2436/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP2A13 659/4885CYP2C9 412/4885ALOX15 2974/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CYP2A13 296/4885CYP2C9 177/4885ALOX15 2840/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2A13 611/4885CYP2C9 313/4885ALOX15 2489/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP2A13 659/4885CYP2C9 412/4885ALOX15 2974/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP2A13 1819/4885CYP2C9 2585/4885ALOX15 2436/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP2A13 296/4885CYP2C9 350/4885ALOX15 2352/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2A13 1819/4885CYP2C9 2585/4885ALOX15 2436/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2A13 1819/4885CYP2C9 2585/4885ALOX15 2436/4885

“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.