SCHEMBL2679668

SCHEMBL2679668

c1cc(-c2ccc(C34CCCN(CCC3)C4)cn2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.39
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ROCK2 O75116 5/20 0.35
ROCK1 Q13464 5/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CHEK1 O14757 1/20 0.33
GSK3B P49841 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL5216499 0.97 ALOX5AP (0.38) ALOX5APCYP11B1CYP11B2ROCK2ROCK1
Bromide SCHEMBL4477940 0.96 ALOX5AP (0.37) ALOX5APCYP11B1CYP11B2ROCK2ROCK1
SCHEMBL2678500 0.91 ALOX5AP (0.38) ALOX5APCYP11B1CYP11B2ROCK2ROCK1
SCHEMBL2678244 0.87 HSD11B1 (0.41) CYP11B1CYP11B2
SCHEMBL2679498 0.86 ALOX5AP (0.41) ALOX5APCYP11B1ROCK2ROCK1
SCHEMBL2678940 0.85 CYP2A6 (0.49) ALOX5APCYP11B1CYP11B2
SCHEMBL2678746 0.84 HSD11B1 (0.40)
SCHEMBL4463296 0.84 HSD11B1 (0.40) HCRTR1HCRTR2
SCHEMBL2678702 0.84 NPC1 (0.39) ALOX5APCYP11B1CYP11B2ROCK1HDAC1
SCHEMBL2677995 0.84 KDM1A (0.43) ALOX5APHCRTR2

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 ALOX5AP 666/4885CYP11B1 24/4885CYP11B2 29/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 ALOX5AP 666/4885CYP11B1 24/4885CYP11B2 29/4885

“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.