SCHEMBL2679800

SCHEMBL2679800

c1ccc2c(c1)oc1c(-c3ccc(C45CCCN(CCC4)C5)cn3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PRKDC P78527 9/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
ALOX5 P09917 2/20 0.36
DRD4 P21917 1/20 0.35
ATM Q13315 1/20 0.35
HSD11B1 P28845 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ADK P55263 1/20 0.30

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
SCHEMBL2678843 0.93 CCNC (0.42) CCNCCDK8PRKDCPIK3CDPIK3CB
SCHEMBL5217263 0.86 HSD11B1 (0.32) CCNCCDK8HSD11B1
Bromide SCHEMBL4465454 0.85 HSD11B1 (0.32) CCNCCDK8HSD11B1
SCHEMBL2678934 0.81 CYP11B1 (0.41) CCNCCDK8
SCHEMBL2677915 0.78 CNR2 (0.41) CCNCCDK8
SCHEMBL2679286 0.75 AKT1 (0.36) MAPT
SCHEMBL5222614 0.75 NPC1 (0.38) HSD11B1
SCHEMBL2678761 0.74 CYP11B2 (0.44) CCNCCDK8
SCHEMBL2679129 0.74 CYP11B1 (0.41) HSD11B1TSHRLMNAMAPT
SCHEMBL16547137 0.74 ALOX5 (0.44) PRKDCPIK3CDPIK3CBALOX5DRD4

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 5 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

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 CCNC 1208/4885CDK8 1436/4885PRKDC 254/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 CCNC 1208/4885CDK8 1436/4885PRKDC 254/4885

“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.