SCHEMBL9975685

SCHEMBL9975685

CCCCOC(=O)N1CCC(c2cc(-c3ccccc3)sc2C(=O)O)=C(C2CCC(C)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.38
CHRM4 P08173 7/20 0.38
CHRM5 P08912 7/20 0.38
CHRM1 P11229 7/20 0.38
CHRM3 P20309 7/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MMP13 P45452 1/20 0.35
P2RY12 Q9H244 7/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL9975718 0.93 MAPT (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975838 0.89 PTGDR2 (0.42) CHRM4CHRM5MAPTPTGDR2
SCHEMBL19135641 0.88 PPARG (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9941528 0.87 KDM4E (0.42) POLBMAPT
SCHEMBL9975700 0.86 NAMPT (0.35) MAPTPTGDR2
SCHEMBL9975733 0.85 UCHL1 (0.41) MAPTMMP13
SCHEMBL9975701 0.84 KDM4E (0.35) MAPT
SCHEMBL9941790 0.84 SIGMAR1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975669 0.84 DGAT2 (0.40) MAPT
SCHEMBL9975692 0.84 IKBKB (0.35) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (3 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-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 CHRM2 3992/4885CHRM4 4410/4885CHRM5 4121/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 CHRM2 3992/4885CHRM4 4410/4885CHRM5 4121/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM2 2882/4885CHRM4 3864/4885CHRM5 3426/4885

“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.