SCHEMBL14950682

SCHEMBL14950682

COC1(c2ncccc2C)CC2CCC(C1)N2Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.41
OPRM1 P35372 3/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PDE3A Q14432 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PDE4A P27815 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTT P42858 1/20 0.30
SMO Q99835 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL2591787 0.77 GPR119 (0.46) POLB
Hydrochloric Acid SCHEMBL2582844 0.76 SLC6A4 (0.33) OPRL1NOS3NOS1NOS2HTR1A
SCHEMBL14950658 0.68 OPRL1 (0.40) OPRL1OPRM1ALDH1A1HTR1ASLC6A2
SCHEMBL14950657 0.63 OPRM1 (0.56) OPRL1OPRM1ALDH1A1SLC6A2SLC6A4
SCHEMBL6996390 0.62 OPRL1 (0.45) OPRL1OPRM1ALDH1A1HTT
SCHEMBL5720015 0.62 OPRL1 (0.72) OPRL1OPRM1
SCHEMBL23208262 0.59 OPRL1 (0.51) OPRL1OPRM1SLC6A2SLC6A4DRD2
SCHEMBL22330440 0.59 NOS3 (0.45) OPRL1ALDH1A1LMNANOS3NOS1
SCHEMBL2594427 0.59 NOS3 (0.34) OPRL1ALDH1A1LMNAPOLBADORA3
SCHEMBL2580066 0.59 KDM4E (0.39) OPRL1NOS3NOS1NOS2HTR1A

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-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
EP-2563780-B1 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 UNIV EDINBURGH (GB) 2015-05-06 EP 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 2559/4885ALDH1A1 87/4885
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 2559/4885ALDH1A1 87/4885

“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.