SCHEMBL9975649

SCHEMBL9975649

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 10/20 0.43
CHRM1 P11229 10/20 0.43
CHRM3 P20309 10/20 0.43
CHRM2 P08172 8/20 0.43
CHRM4 P08173 8/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NQO2 P16083 1/20 0.38
ACP1 P24666 1/20 0.38
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
PRKDC P78527 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL9975734 0.93 NQO2 (0.41) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10324379 0.93 NQO2 (0.41) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9975767 0.93 CHRM3 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9975760 0.91 CHRM3 (0.41) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9975849 0.88 CHRM3 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9975652 0.85 KIT (0.37) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9975681 0.85 CHRM5 (0.40) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9975842 0.84 DRD2 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9975781 0.84 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9975709 0.83 KDM4E (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4

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 CHRM5 4121/4885CHRM1 3102/4885CHRM3 3250/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM5 3426/4885CHRM1 1499/4885CHRM3 3113/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 CHRM5 4121/4885CHRM1 3102/4885CHRM3 3250/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 CHRM5 4121/4885CHRM1 3102/4885CHRM3 3250/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM5 3426/4885CHRM1 1499/4885CHRM3 3113/4885

“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.