SCHEMBL1054355

SCHEMBL1054355

CN1C(=O)COc2ncc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
HSD17B10 Q99714 1/20 0.38
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
GABRA5 P31644 6/20 0.38
GABRG2 P18507 5/20 0.38
GABRB3 P28472 5/20 0.38
GPR55 Q9Y2T6 1/20 0.33
AKR1B1 P15121 1/20 0.33
CASP2 P42575 1/20 0.33
GRM4 Q14833 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
KCNN4 O15554 1/20 0.32

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
SCHEMBL46331 0.83 PDE3B (0.43) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL18226992 0.81 CYP11B2 (0.39) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL21038061 0.81 GPR55 (0.40) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL21038292 0.80 GABRA5 (0.39) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL21038289 0.79 CYP11B2 (0.40) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL15889724 0.78 CYP11B2 (0.40) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL2816111 0.78 LMNA (0.42) CYP11B2CYP11B1HSD17B10PDE3BPDE3A
SCHEMBL21038848 0.78 CYP11B2 (0.37) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL15911681 0.77 CYP11B1 (0.47) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL2039105 0.75 PDE3B (0.38) CYP11B2CYP11B1PDE3BPDE3AGABRA5

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
EP-2717694-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Limited (GB) 2014-04-16 EP disclosed
WO-2013188856-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-12-19 WO disclosed
US-8604050-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-12-10 US disclosed
EP-2235014-B1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-10-09 EP disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 WO disclosed
US-8299114-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2012-10-30 US disclosed
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-10-04 US disclosed
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 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 (3 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-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 CYP11B2 28/4885CYP11B1 44/4885HSD17B10 386/4885
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 CYP11B2 223/4885CYP11B1 337/4885HSD17B10 3443/4885
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 CYP11B2 223/4885CYP11B1 337/4885HSD17B10 3443/4885

“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.