SCHEMBL2677751

SCHEMBL2677751

c1ccc(-c2ccc(C34CCN(CC3)C4)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
LDHA P00338 1/20 0.39
NPY5R Q15761 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL2679166 0.97 HSD11B1 (0.41) HSD11B1LDHANPY5REGLN1CHRNB2
SCHEMBL4463296 0.94 HSD11B1 (0.40) HSD11B1LDHANPY5REGLN1CHRNB2
Bromide SCHEMBL4471147 0.93 HSD11B1 (0.39) HSD11B1LDHANPY5REGLN1CHRNB2
SCHEMBL2678244 0.91 HSD11B1 (0.41) HSD11B1LDHANPY5REGLN1CHRNB2
SCHEMBL2678746 0.88 HSD11B1 (0.40) HSD11B1LDHACHRNB2CHRNA7CHRNA4
SCHEMBL2678288 0.88 CYP11B1 (0.44) HSD11B1CYP11B1CYP11B2
SCHEMBL2678500 0.86 ALOX5AP (0.38) HSD11B1CYP11B1CYP11B2
SCHEMBL2678648 0.85 CYP2A6 (0.48) CYP11B1CYP11B2
SCHEMBL2678523 0.85 CHRNA7 (0.42) CHRNA7
SCHEMBL2685616 0.85 NPC1 (0.41) HSD11B1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759343-B2 Azabicycloalkane derivatives, preparation thereof and use thereof in therapy SANOFI (FR) 2014-06-24 US disclosed
EP-2118104-B1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI SA (FR) 2013-01-02 EP disclosed
US-20120202807-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI (FR) 2012-08-09 US disclosed
US-8173669-B2 Azabicycloalkane derivatives, preparation thereof and use thereof in therapy SANOFI-AVENTIS (FR) 2012-05-08 US disclosed
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
EP-2118104-A2 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY Sanofi-Aventis (FR) 2009-11-18 EP disclosed
WO-2008110699-A2 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2008-09-18 WO 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-20120202807-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 HSD11B1 415/4885LDHA 3717/4885NPY5R 1287/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 HSD11B1 415/4885LDHA 3717/4885NPY5R 1287/4885

“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.