SCHEMBL9975772

SCHEMBL9975772

CCN1CCC(c2cc(C#CCOC)sc2C(=O)O)=C(C2CCC(C)CC2)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.32
CHRM1 P11229 6/20 0.32
CHRM2 P08172 5/20 0.32
CHRM4 P08173 5/20 0.32
CHRM3 P20309 5/20 0.32
NR1I2 O75469 2/20 0.32
CYP2E1 P05181 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9975765 0.90 NR1I2 (0.33) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975688 0.88 NR1I2 (0.32) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975735 0.86 NR1I2 (0.33) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975680 0.86 NR1I2 (0.45) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975727 0.85 CHRM2 (0.34) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975844 0.85 NR1I2 (0.39) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975736 0.84 NR1I2 (0.33) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975840 0.84 CHRM2 (0.35) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975764 0.83 NR1I2 (0.32) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975740 0.83 NR1I2 (0.40) CHRM5CHRM1CHRM2CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 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-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 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
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 (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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM5 3426/4885CHRM1 1499/4885CHRM2 2882/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM5 3426/4885CHRM1 1499/4885CHRM2 2882/4885

“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.