SCHEMBL2678746

SCHEMBL2678746

c1ccc(-c2ccc(-c3ccc(C45CCCN(CCC4)C5)cn3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
CYP2D6 P10635 2/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
LDHA P00338 1/20 0.36
HPGDS O60760 1/20 0.35
WDR5 P61964 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
ACHE P22303 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL2678244 0.97 HSD11B1 (0.41) HSD11B1CYP2D6EPHX1EPHX2LDHA
SCHEMBL4463296 0.94 HSD11B1 (0.40) HSD11B1LDHACHRNB2CHRNA7CHRNA4
Bromide SCHEMBL4471147 0.93 HSD11B1 (0.39) HSD11B1LDHACHRNB2CHRNA7CHRNA4
SCHEMBL2679166 0.92 HSD11B1 (0.41) HSD11B1LDHAHPGDSCHRNB2CHRNA7
SCHEMBL2678742 0.89 CYP11B1 (0.42) HSD11B1ALDH1A1HPGD
SCHEMBL2677751 0.88 HSD11B1 (0.42) HSD11B1LDHAHPGDSCHRNB2CHRNA7
SCHEMBL2678702 0.86 NPC1 (0.39) HSD11B1CYP3A4CYP2C9
SCHEMBL2679668 0.84 ALOX5AP (0.39)
SCHEMBL2678006 0.84 FEN1 (0.38) HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL2678520 0.84 DKK1 (0.41) CYP2D6ALDH1A1CYP1A2CYP2C9HPGD

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 6 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
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 415/4885CYP2D6 67/4885EPHX1 309/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 HSD11B1 415/4885CYP2D6 67/4885EPHX1 309/4885

“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.