SCHEMBL2679413

SCHEMBL2679413

FC(F)(F)Oc1cccc(-c2ccc(C34CCN(CC3)C4)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.46
HSD11B1 P28845 1/20 0.42
SCN9A Q15858 3/20 0.42
OTUD7B Q6GQQ9 2/20 0.41
SLC6A7 Q99884 1/20 0.40
ACP1 P24666 1/20 0.39
FYN P06241 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
SCHEMBL2677997 0.93 DYRK1A (0.42) DYRK1AHSD11B1SCN9AACP1
SCHEMBL2679383 0.86 KDM1A (0.50) DYRK1AFYN
SCHEMBL2678497 0.86 CYP1A2 (0.42) HSD11B1SCN9AACP1
SCHEMBL2677987 0.82 KDM1A (0.49)
SCHEMBL2679400 0.81 HPGDS (0.45) HSD11B1FYN
SCHEMBL2678305 0.81 KDM1A (0.47) DYRK1AFYN
SCHEMBL2677558 0.79 CYP1A2 (0.41) HSD11B1SCN9A
SCHEMBL2677751 0.77 HSD11B1 (0.42) HSD11B1
SCHEMBL4466231 0.77 HPGDS (0.41) HSD11B1ACP1FYN
Bromide SCHEMBL4480660 0.76 HPGDS (0.41) HSD11B1FYN

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 DYRK1A 3148/4885HSD11B1 415/4885SCN9A 3509/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 DYRK1A 3148/4885HSD11B1 415/4885SCN9A 3509/4885

“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.