SCHEMBL9975760

SCHEMBL9975760

CCN1CCC(c2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)sc2C(=O)OC)=C(C2CCC(C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.41
CHRM5 P08912 11/20 0.41
CHRM1 P11229 11/20 0.41
CHRM2 P08172 9/20 0.41
CHRM4 P08173 9/20 0.41
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL9975842 0.94 DRD2 (0.39) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL9975649 0.91 CHRM5 (0.43) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL9975849 0.85 CHRM3 (0.43) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL9975705 0.85 CHRM1 (0.39) CHRM1BRD4CREBBPDRD2KDM4E
SCHEMBL9975734 0.84 NQO2 (0.41) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL10324379 0.84 NQO2 (0.41) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL9975767 0.84 CHRM3 (0.39) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL9975681 0.82 CHRM5 (0.40) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL9975781 0.82 CHRM5 (0.42) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL9975709 0.80 KDM4E (0.42) CHRM3CHRM5CHRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426762-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2019-10-01 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 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 (5 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-10426762-B2 Inhibitors of hepatitis C virus polymerase POLR2E, POLR2H, GTF3C3 CHRM3 3250/4885CHRM5 4121/4885CHRM1 3102/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM3 3113/4885CHRM5 3426/4885CHRM1 1499/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 CHRM3 3250/4885CHRM5 4121/4885CHRM1 3102/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 CHRM3 3250/4885CHRM5 4121/4885CHRM1 3102/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM3 3113/4885CHRM5 3426/4885CHRM1 1499/4885

“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.