SCHEMBL19009082

SCHEMBL19009082

CCCCc1cccc(N(C)C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
OPRM1 P35372 3/20 0.40
DRD3 P35462 3/20 0.40
DRD2 P14416 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
XIAP P98170 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL23806649 0.83 SIGMAR1 (0.42) SIGMAR1OPRM1OPRD1OPRK1AOC3
SCHEMBL10150944 0.82 SIGMAR1 (0.46) SIGMAR1
SCHEMBL10356301 0.82 LPL (0.46) LPLLIPG
SCHEMBL22388176 0.81 OPRM1 (0.46) SIGMAR1OPRM1OPRD1OPRK1AOC3
SCHEMBL22388305 0.80 TAAR1 (0.38) SIGMAR1OPRM1OPRD1OPRK1AOC3
SCHEMBL15743670 0.77 LPL (0.49) SIGMAR1LPLLIPGOPRM1DRD3
SCHEMBL10121263 0.77 GABRA1 (0.38) SIGMAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL15014089 0.77 S1PR1 (0.44) SIGMAR1
SCHEMBL23308051 0.77 TSHR (0.38) SIGMAR1OPRM1DRD3DRD2OPRD1
SCHEMBL9446201 0.77 DRD2 (0.38) SIGMAR1LPLLIPGOPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208000-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-02-19 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 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 (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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 SIGMAR1 3243/4885LPL 2113/4885LIPG 2246/4885
US-10208000-B2 Eis inhibitors ABCC1, ATP5ME, ABCG2 SIGMAR1 3243/4885LPL 2113/4885LIPG 2246/4885

“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.