SCHEMBL15423480

SCHEMBL15423480

CC(=O)N1CCCC(C(C)C)C1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.40
PREP P48147 2/20 0.40
HCRTR2 O43614 6/20 0.39
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
CHRM2 P08172 4/20 0.37
CHRM4 P08173 4/20 0.37
CHRM5 P08912 4/20 0.37
CHRM1 P11229 4/20 0.37
CHRM3 P20309 4/20 0.37
DPP7 Q9UHL4 2/20 0.37

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
SCHEMBL15423475 0.89 HCRTR2 (0.32) FAPPREPHCRTR2DPP4DPP8
SCHEMBL25773837 0.81 FAP (0.40) FAPPREPHCRTR2DPP4DPP8
SCHEMBL21129420 0.77 HCRTR2 (0.41) FAPPREPHCRTR2CHRM2CHRM4
SCHEMBL15423481 0.76 ATM (0.34)
SCHEMBL1949667 0.75 CHRM2 (0.39) FAPPREPCHRM2CHRM4CHRM5
SCHEMBL28446519 0.75 CHRM2 (0.39) FAPPREPCHRM2CHRM4CHRM5
SCHEMBL1725742 0.75 CHRM2 (0.39) FAPPREPCHRM2CHRM4CHRM5
SCHEMBL13532952 0.75 FAP (0.42) FAPPREPHCRTR2DPP4DPP8
SCHEMBL13218350 0.75 FAP (0.42) FAPPREPHCRTR2DPP4DPP8
SCHEMBL8234453 0.75 FAP (0.42) FAPPREPHCRTR2DPP4DPP8

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-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-20160130300-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-05-12 US disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US 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-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 FAP 696/4885PREP 1161/4885HCRTR2 4790/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 FAP 592/4885PREP 1152/4885HCRTR2 4745/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 FAP 592/4885PREP 1152/4885HCRTR2 4745/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 FAP 592/4885PREP 1152/4885HCRTR2 4745/4885
US-20160130300-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 FAP 592/4885PREP 1152/4885HCRTR2 4745/4885

“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.