SCHEMBL14950643

SCHEMBL14950643

OC1(c2ncccc2Cl)CC2CCC(C1)N2Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.49
OPRM1 P35372 13/20 0.49
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL23208262 0.87 OPRL1 (0.51) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL14950658 0.84 OPRL1 (0.40) OPRL1OPRM1DRD2DRD4DRD3
SCHEMBL14950657 0.78 OPRM1 (0.56) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL14947619 0.77 GPR119 (0.46) OPRL1OPRM1
Hydrochloric Acid SCHEMBL2583472 0.77 OPRL1 (0.38) OPRL1OPRM1DRD2DRD4DRD3
SCHEMBL14950750 0.77 OPRM1 (0.35) OPRL1OPRM1OPRD1OPRK1
SCHEMBL14950683 0.74 PKLR (0.44) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL12179345 0.72 OPRM1 (0.62) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL5718925 0.69 OPRL1 (0.72) OPRL1OPRM1OPRD1OPRK1
SCHEMBL12178878 0.69 DRD2 (0.46) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834549-B2 3,3-disubstituted-(8-aza-bicyclo[3.2.1]OCT-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2017-12-05 US disclosed
US-20160251346-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2016-09-01 US disclosed
US-9365564-B2 3,3-disubstituted-(8-aza-bicyclo[3.2.1]oct-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2016-06-14 US disclosed
US-20130123268-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2013-05-16 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 (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-20160251346-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 HSD11B1, HSD3B1, HSD17B1 OPRL1 3182/4885OPRM1 2559/4885OPRD1 849/4885
US-20130123268-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 HSD11B1, HSD3B1, HSD17B1 OPRL1 3182/4885OPRM1 2559/4885OPRD1 849/4885

“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.