SCHEMBL14947640

SCHEMBL14947640

CCC1CC(C#N)(c2ccccn2)CCN1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
ADRA1A P35348 3/20 0.35
SLC6A2 P23975 2/20 0.33
PRKCA P17252 1/20 0.33
PTPN2 P17706 1/20 0.33
HTR7 P34969 1/20 0.33
SLC6A4 P31645 1/20 0.33
SPR P35270 1/20 0.31
CHRM1 P11229 1/20 0.31
CCR1 P32246 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 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
SCHEMBL14947642 0.84
SCHEMBL14947641 0.81 CHRNB2 (0.34) SLC6A2SLC6A4
SCHEMBL14947631 0.78 SLC6A2 (0.35) SLC6A2SLC6A4CHRM1GRIN1GRIN2A
SCHEMBL14947638 0.76 HRH3 (0.35) SLC6A2SLC6A4GRIN1GRIN2AGRIN2B
SCHEMBL761352 0.75 ALDH1A1 (0.43) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL14947639 0.75 SLC6A2 (0.33) SLC6A2SLC6A4GRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL2221936 0.74 ALDH1A1 (0.42) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL30419444 0.73 HSD11B1 (0.43) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL7157630 0.73 HSD11B1 (0.43) HSD11B1ADRA1APRKCAPTPN2HTR7
SCHEMBL15199128 0.72 HSD11B1 (0.39) HSD11B1ADRA1ASLC6A2PRKCAPTPN2

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-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 (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-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 HSD11B1 1/4885ADRA1A 208/4885SLC6A2 2372/4885

“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.