SCHEMBL9975804

SCHEMBL9975804

CC1CCC(C2=C(c3cc(-c4ccccc4)sc3C(=O)O)CCN(Cc3cncnc3)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.32
CHRM5 P08912 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM4 P08173 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM3 P20309 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
DDR1 Q08345 1/20 0.32
DDR2 Q16832 1/20 0.32
CFTR P13569 2/20 0.32
ACACB O00763 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
HTR7 P34969 1/20 0.32
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL9975703 0.92 KDM4E (0.40) DGAT2CFTRKDM4EPOLBPTPN1
SCHEMBL9975717 0.92 ACHE (0.38) DGAT2CHRM5CHRM1CHRM2CHRM3
SCHEMBL9975699 0.91 CHRM5 (0.39) DGAT2CHRM5CHRM1CFTRPTPN1
SCHEMBL9975683 0.88 CHRM5 (0.39) CHRM5CHRM1KDM4EALDH1A1
SCHEMBL10366627 0.88 DRD2 (0.38) CHRM5CHRM1CHRM4CHRM2CHRM3
SCHEMBL9976046 0.87 MDM2 (0.33) CHRM5CHRM1CHRM4CHRM2CHRM3
SCHEMBL9975823 0.87 CHRM5 (0.42) CHRM5CHRM1CHRM4CHRM2CHRM3
SCHEMBL10324332 0.86 GRM2 (0.36) DGAT2CHRM5CHRM1CFTRHTR7
SCHEMBL9976044 0.86 GRM2 (0.36) DGAT2CHRM5CHRM1CFTRHTR7
SCHEMBL9975704 0.85 ACHE (0.41) CHRM5CHRM1CHRM4CHRM2CHRM3

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-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
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 DGAT2 4399/4885CHRM5 3426/4885CHRM1 1499/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E DGAT2 4399/4885CHRM5 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.