SCHEMBL14950658

SCHEMBL14950658

OC1(c2ncccc2F)CC2CCC(C1)N2Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.40
OPRM1 P35372 4/20 0.40
KDM4E B2RXH2 3/20 0.37
DRD2 P14416 4/20 0.35
DRD3 P35462 3/20 0.35
DRD4 P21917 3/20 0.35
CYP11B2 P19099 2/20 0.34
HTR1A P08908 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL14950643 0.84 OPRL1 (0.49) OPRL1OPRM1KDM4EDRD2DRD3
SCHEMBL14950657 0.77 OPRM1 (0.56) OPRL1OPRM1KDM4EDRD2DRD3
SCHEMBL2587863 0.76 GPR119 (0.48) HTT
Hydrochloric Acid SCHEMBL2584014 0.75 RAB9A (0.32) KDM4EHTR1ASLC6A2SLC6A4MPI
SCHEMBL23231739 0.72 PDE2A (0.40) KDM4EALDH1A1MPIL3MBTL1PKLR
SCHEMBL23208262 0.71 OPRL1 (0.51) OPRL1OPRM1KDM4EDRD2DRD3
SCHEMBL13229266 0.69 PKLR (0.43) OPRL1OPRM1KDM4EMPIL3MBTL1
SCHEMBL3790068 0.68 DRD2 (0.39) KDM4EDRD2HTR1ASLC6A2SLC6A4
SCHEMBL14950682 0.68 OPRL1 (0.41) OPRL1OPRM1DRD2DRD4HTR1A
SCHEMBL14950645 0.66 OPRM1 (0.32) OPRL1OPRM1

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 2559/4885KDM4E 1504/4885
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 2559/4885KDM4E 1504/4885

“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.