SCHEMBL2677153

SCHEMBL2677153

c1cc(-c2ccc(C34CCN(CC3)C4)cn2)c2ccncc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
PRKDC P78527 2/20 0.41
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
HRH3 Q9Y5N1 1/20 0.37
HTR2C P28335 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPK3 P27361 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
SCHEMBL2678578 0.93 CNR1 (0.42) CNR1CNR2CCNCCDK8IKBKE
SCHEMBL2677920 0.86 CYP11B2 (0.46) CNR1CNR2CCNCCDK8CYP11B1
SCHEMBL2678934 0.81 CYP11B1 (0.41) CCNCCDK8CYP11B1CYP11B2HTR2C
SCHEMBL2677975 0.81 CNR2 (0.41) CNR2CCNCCDK8PRKDCHTR2C
SCHEMBL2678705 0.81 CNR2 (0.43) CNR2CCNCCDK8HTR2C
SCHEMBL2678761 0.80 CYP11B2 (0.44) CNR1CNR2CCNCCDK8CYP11B1
SCHEMBL5220383 0.77 CNR2 (0.38) CNR2CCNCCDK8HRH3HTR2C
Bromide SCHEMBL4558553 0.76 CNR2 (0.38) CNR2CCNCCDK8HRH3HTR2C
SCHEMBL2678500 0.75 ALOX5AP (0.38) CYP11B1CYP11B2
SCHEMBL2679493 0.75 ALOX5AP (0.43) CYP11B1CYP11B2LMNACYP1A2CYP3A4

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 CNR1 617/4885CNR2 631/4885CCNC 1208/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 CNR1 617/4885CNR2 631/4885CCNC 1208/4885

“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.