SCHEMBL2678705

SCHEMBL2678705

c1cc(-c2ccc(C34CCN(CC3)C4)cn2)c2cccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
FYN P06241 1/20 0.39
MAP4K1 Q92918 1/20 0.38
TGFBR1 P36897 3/20 0.36
MAPK14 Q16539 2/20 0.36
HTR2C P28335 1/20 0.36
ACVR1 Q04771 6/20 0.36
BMPR1A P36894 5/20 0.36
ACVRL1 P37023 5/20 0.36
BMPR1B O00238 4/20 0.36
THRB P10828 1/20 0.35
FTO Q9C0B1 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL2677915 0.93 CNR2 (0.41) CNR2CCNCCDK8FYNMAP4K1
SCHEMBL2677975 0.82 CNR2 (0.41) CNR2CCNCCDK8HTR2C
SCHEMBL2677153 0.81 CNR1 (0.43) CNR2CCNCCDK8HTR2C
SCHEMBL5220383 0.79 CNR2 (0.38) CNR2CCNCCDK8HTR2C
Bromide SCHEMBL4558553 0.78 CNR2 (0.38) CNR2CCNCCDK8HTR2C
SCHEMBL2678843 0.77 CCNC (0.42) CCNCCDK8
SCHEMBL2677959 0.76 NPC1 (0.41)
SCHEMBL2678934 0.76 CYP11B1 (0.41) CCNCCDK8HTR2C
SCHEMBL2679187 0.76 NPC1 (0.47) TGFBR1
SCHEMBL2679286 0.75 AKT1 (0.36)

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 CNR2 631/4885CCNC 1208/4885CDK8 1436/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 CNR2 631/4885CCNC 1208/4885CDK8 1436/4885

“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.