SCHEMBL4100450

SCHEMBL4100450

CCOC(=O)C1(c2ccccn2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
OPRD1 P41143 4/20 0.47
OPRK1 P41145 4/20 0.47
SLC22A1 O15245 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HSD11B1 P28845 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10695508 0.97 OPRM1 (0.48) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL10696393 0.94 OPRM1 (0.50) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL7421566 0.88 OPRM1 (0.65) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL31114026 0.88 ALDH1A1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15631928 0.81 SLC6A2 (0.41) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL24608781 0.80 HSD11B1 (0.42) SLC6A4POLBALDH1A1HSD11B1
SCHEMBL25252018 0.80 GPR119 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23365196 0.80 OPRM1 (0.39) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL28738251 0.79 HSD11B1 (0.50) OPRK1ALDH1A1LMNAHSD11B1HSD17B10
SCHEMBL27907574 0.78 HSD11B1 (0.50) OPRM1OPRD1OPRK1SLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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 (1 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 OPRM1 4682/4885SMN1; SMN2 3838/4885OPRD1 2856/4885

“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.