SCHEMBL2677997

SCHEMBL2677997

FC(F)(F)Oc1cccc(-c2ccc(C34CCCN(CCC3)C4)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.42
HSD11B1 P28845 1/20 0.41
SCN9A Q15858 3/20 0.41
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PIM1 P11309 1/20 0.39
ACP1 P24666 1/20 0.38
P2RX7 Q99572 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL2679413 0.93 DYRK1A (0.46) DYRK1AHSD11B1SCN9AACP1
SCHEMBL2677558 0.86 CYP1A2 (0.41) HSD11B1SCN9AP2RX7
SCHEMBL2678305 0.85 KDM1A (0.47) DYRK1A
SCHEMBL2676629 0.83 KDM1A (0.47) GRIN1GRIN2B
SCHEMBL2678219 0.82 HPGDS (0.43) HSD11B1PIM1
SCHEMBL4466231 0.80 HPGDS (0.41) HSD11B1PIM1ACP1
SCHEMBL2678497 0.79 CYP1A2 (0.42) HSD11B1SCN9AACP1P2RX7
SCHEMBL2679383 0.79 KDM1A (0.50) DYRK1A
Bromide SCHEMBL4480660 0.79 HPGDS (0.41) HSD11B1PIM1P2RX7
SCHEMBL2678244 0.78 HSD11B1 (0.41) HSD11B1

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.