SCHEMBL2678006

SCHEMBL2678006

Fc1cc(-c2ccc(C34CCCN(CCC3)C4)cn2)ccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 12/20 0.38
ALOX5AP P20292 11/20 0.38
NSD2 O96028 1/20 0.36
APP P05067 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL2679108 0.93 FEN1 (0.38) FEN1ALOX5APAPPCYP3A4CYP2C19
SCHEMBL2678746 0.84 HSD11B1 (0.40) CYP3A4CYP2C19CYP2C9HSD11B1
SCHEMBL2678244 0.84 HSD11B1 (0.41) HSD11B1
SCHEMBL2678219 0.82 HPGDS (0.43) HSD11B1
SCHEMBL4463296 0.82 HSD11B1 (0.40) HSD11B1
Bromide SCHEMBL4471147 0.81 HSD11B1 (0.39) HSD11B1
SCHEMBL4466231 0.81 HPGDS (0.41) HSD11B1
SCHEMBL2678520 0.80 DKK1 (0.41) CYP2C19CYP2C9
SCHEMBL2679330 0.80 HSD11B1 (0.41) NSD2CYP3A4HSD11B1
SCHEMBL2678187 0.80 NPC1 (0.39) FEN1ALOX5AP

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 FEN1 1637/4885ALOX5AP 666/4885NSD2 1453/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 FEN1 1637/4885ALOX5AP 666/4885NSD2 1453/4885

“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.