SCHEMBL2769773

SCHEMBL2769773

N#Cc1cc(CO)c2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
XDH P47989 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ENPP3 O14638 1/20 0.37
TSHR P16473 1/20 0.37
KDM2B Q8NHM5 3/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TRPM4 Q8TD43 1/20 0.35
GAA P10253 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL5167001 0.84 CA1 (0.50) CA1CA2XDHSLC22A12ENPP3
SCHEMBL2771819 0.84 CA1 (0.50) CA1CA2XDHSLC22A12ENPP3
SCHEMBL4704448 0.84 CA1 (0.50) CA1CA2XDHSLC22A12ENPP3
SCHEMBL27663210 0.81 CA1 (0.47) CA1CA2XDHSLC22A12ENPP3
SCHEMBL4161556 0.81 CA1 (0.47) CA1CA2XDHSLC22A12MEN1
SCHEMBL15356390 0.80 KDM4E (0.48) CA1CA2XDHSLC22A12MEN1
SCHEMBL2185041 0.77 NQO2 (0.55) CA1CA2XDHSLC22A12MEN1
SCHEMBL29482237 0.75 CA1 (0.56) CA1CA2XDHSLC22A12ENPP3
SCHEMBL7304752 0.75 CA1 (0.61) CA1CA2XDHSLC22A12MEN1
SCHEMBL819485 0.75 CA1 (0.56) CA1CA2XDHSLC22A12ENPP3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753739-B1 IMIDAZOL-2-ONE COMPOUNDS USEFUL IN THE TREATMENT OF VARIOUS DISORDERS GLAXO GROUP LTD (GB) 2010-04-28 EP disclosed
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them ALVARO GIUSEPPE 2009-07-30 US disclosed
US-7534893-B2 Imidazol-2-one compounds useful in the treatment of various disorders GLAXO GROUP LIMITED (GB) 2009-05-19 US disclosed
US-20080262041-A1 Beta-Lactams for Treatment of Cns Disorders GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
EP-1689737-B1 BETA-LACTAMS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-07-16 EP disclosed
US-20070249679-A1 Imidazol-2-One Compounds Useful in the Treatment of Various Disorders GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
EP-1581495-B1 4-aryl-4-(naphth-1-ylmethylamino)methyl-piperidine compounds and their use ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2007-03-29 US disclosed
EP-1753739-A1 IMIDAZOL-2-ONE COMPOUNDS USEFUL IN THE TREATMENT OF VARIOUS DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-21 EP disclosed
CN-1878764-A Beta-lactams for treatment of cns disorders GLAXO GROUP LTD (GB) 2006-12-13 CN disclosed
US-20060058352-A1 Piperidine amine compounds and their use ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1622871-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-02-08 EP disclosed
WO-2005121122-A1 IMIDAZOL-2-ONE COMPOUNDS USEFUL IN THE TREATMENT OF VARIOUS DISORDERS GLAXO GROUP LIMITED (GB) 2005-12-22 WO disclosed
US-20050245572-A1 Naphthyl ether compounds and their use OLINK AB (SE) 2005-11-03 US disclosed
EP-1581495-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-10-05 EP disclosed
EP-1546101-A1 NAPHTHYL ETHER COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-06-29 EP disclosed
WO-2005049600-A1 BETA-LACTAMS FOR TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
WO-2004099143-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2004-11-18 WO disclosed
WO-2004056771-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004022539-A1 NAPHTHYL ETHER COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-03-18 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 (6 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-20080262041-A1 Beta-Lactams for Treatment of Cns Disorders SLC7A1, TPH1, CHRNA10 CA1 1918/4885CA2 2390/4885XDH 2206/4885
US-20060058352-A1 Piperidine amine compounds and their use HRH3, H1-5, H1-0 CA1 4060/4885CA2 3701/4885XDH 3722/4885
US-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them SLC6A4, OPRL1, HCRTR1 CA1 2530/4885CA2 1755/4885XDH 3340/4885
US-20070249679-A1 Imidazol-2-One Compounds Useful in the Treatment of Various Disorders SLC6A4, SLC18A2, SLC18A1 CA1 1442/4885CA2 364/4885XDH 2289/4885
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them SLC6A4, OPRL1, HCRTR1 CA1 2530/4885CA2 1755/4885XDH 3340/4885
US-20050245572-A1 Naphthyl ether compounds and their use NR4A1, NPM1, H1-4 CA1 3573/4885CA2 4278/4885XDH 1428/4885

“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.