SCHEMBL14947632

SCHEMBL14947632

CCC1CC(F)(c2ncccc2C)CCN1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
REN P00797 1/20 0.33
TRPA1 O75762 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL14947627 0.82 REN (0.37) CHRNB2CHRNA4RENCHRNB4CHRNA3
SCHEMBL14947631 0.80 SLC6A2 (0.35) CHRNB2CHRNA4OPRL1
SCHEMBL14947641 0.79 CHRNB2 (0.34) CHRNB2CHRNA4RENCHRNB4CHRNA3
SCHEMBL14947635 0.76
SCHEMBL5732429 0.75 ALDH1A1 (0.38)
SCHEMBL14947614 0.72 EPHX2 (0.34) CHRNB2CHRNA4RENPRKCQPRKCD
SCHEMBL2594427 0.69 NOS3 (0.34) CHRNB2CHRNA4OPRL1
SCHEMBL12178899 0.68 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2690334 0.65 NOS3 (0.36) OPRL1
SCHEMBL14947638 0.65 HRH3 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3

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 CHRNB2 1319/4885CHRNA4 1588/4885REN 724/4885

“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.