SCHEMBL2678469

SCHEMBL2678469

c1ccc2oc(-c3ccc(C45CCN(CC4)C5)cn3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
GRM4 Q14833 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
METAP2 P50579 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CNR2 P34972 1/20 0.40
MAPKAPK2 P49137 2/20 0.39
CYP19A1 P11511 1/20 0.39
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
CCNT1 O60563 1/20 0.39

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
SCHEMBL5223359 0.95 CYP11B1 (0.42) CYP11B1GRM4NPC1RAB9ASMN1; SMN2
Bromide SCHEMBL4467486 0.94 CYP11B1 (0.41) CYP11B1GRM4NPC1RAB9ASMN1; SMN2
SCHEMBL2677845 0.93 CYP11B1 (0.43) CYP11B1GRM4NPC1RAB9ASMN1; SMN2
SCHEMBL4463632 0.85 CYP11B1 (0.41) CYP11B1GRM4NPC1RAB9ASMN1; SMN2
SCHEMBL2678567 0.76 DKK1 (0.43) CYP11B1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2677751 0.74 HSD11B1 (0.42) CYP11B1
SCHEMBL2678843 0.74 CCNC (0.42) SMN1; SMN2LMNAHPGDMAPTKDM4E
SCHEMBL2677931 0.73 KDM1A (0.49) CYP11B1MAPKAPK2CYP19A1CCNCCDK8
SCHEMBL5217419 0.72 CYP11B1 (0.38) CYP11B1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL2677920 0.72 CYP11B2 (0.46) CYP11B1CNR2CCNCCDK8CYP3A4

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 CYP11B1 24/4885GRM4 1977/4885NPC1 936/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 CYP11B1 24/4885GRM4 1977/4885NPC1 936/4885

“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.