SCHEMBL8910639

SCHEMBL8910639

CN1CCN([C@@H](C(=O)C(C)(C)C)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
ADRA2A P08913 2/20 0.53
CHRM1 P11229 2/20 0.53
DRD1 P21728 2/20 0.53
DRD3 P35462 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KCNH2 Q12809 2/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM3 P20309 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HRH1 P35367 1/20 0.53
OPRM1 P35372 1/20 0.53
HTR2B P41595 1/20 0.53
ABCB1 P08183 3/20 0.52
MC4R P32245 1/20 0.51

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
SCHEMBL14664025 1.00 CHRM2 (0.53) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL15429939 0.87 LMNA (0.65) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL8906984 0.87 LMNA (0.65) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL8907109 0.86 GAA (0.66) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL10120502 0.85 KMT2A (0.63) CYP2D6ABCB1MEN1KMT2ALMNA
SCHEMBL12137582 0.83 LMNA (0.69) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL753845 0.83 LMNA (0.69) CHRM2ADRA2ACHRM1DRD1DRD3
Benzene SCHEMBL27817325 0.83 LMNA (0.69) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL14926937 0.83 OPRD1 (0.52) OPRM1MEN1KMT2ALMNACYP3A4
SCHEMBL8908151 0.83 CYP3A4 (0.68) LMNACYP3A4HIF1AGAAALDH1A1

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 16 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-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-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-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-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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES 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

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 CHRM2 4855/4885ADRA2A 4147/4885CHRM1 4800/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CHRM2 4855/4885ADRA2A 4147/4885CHRM1 4800/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CHRM2 4843/4885ADRA2A 4222/4885CHRM1 4784/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CHRM2 4855/4885ADRA2A 4147/4885CHRM1 4800/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CHRM2 4877/4885ADRA2A 4516/4885CHRM1 4861/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CHRM2 4875/4885ADRA2A 4552/4885CHRM1 4857/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CHRM2 4872/4885ADRA2A 4600/4885CHRM1 4825/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CHRM2 4837/4885ADRA2A 4102/4885CHRM1 4757/4885

“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.