SCHEMBL8920685

SCHEMBL8920685

CCC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD1 P21728 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
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
MC4R P32245 5/20 0.51
OPRD1 P41143 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
SCHEMBL12980740 1.00 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL13187482 0.87 LMNA (0.65) CHRM1CHRM2CYP2D6CHRM3SLC6A3
SCHEMBL8915944 0.87 LMNA (0.65) CHRM1CHRM2CYP2D6CHRM3SLC6A3
SCHEMBL10151018 0.86 GAA (0.66) CHRM1CHRM2CYP2D6CHRM3SLC6A3
SCHEMBL12137582 0.83 LMNA (0.69) CHRM1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL753845 0.83 LMNA (0.69) CHRM1CHRM2CHRM4CHRM5ADRA2A
Benzene SCHEMBL27817325 0.83 LMNA (0.69) CHRM1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL18889507 0.83 ALDH1A1 (0.62) LMNAGAA
SCHEMBL8917009 0.83 ALDH1A1 (0.62) LMNAGAA
SCHEMBL890239 0.82 CHRM2 (0.58) CHRM1CHRM2CHRM4CHRM5ADRA2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO 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 (2 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-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CHRM1 4800/4885CHRM2 4855/4885CHRM4 4823/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CHRM1 4857/4885CHRM2 4875/4885CHRM4 4859/4885

“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.