SCHEMBL4975928

SCHEMBL4975928

CNCc1ccc(OC)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.60
HTR2A P28223 2/20 0.60
HTR1A P08908 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR2C P28335 1/20 0.60
HTR1E P28566 1/20 0.60
HTR2B P41595 1/20 0.60
HTR5A P47898 1/20 0.60
HTR6 P50406 1/20 0.60
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM1A O60341 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
PDE5A O76074 6/20 0.51
GAA P10253 1/20 0.51
SLC6A4 P31645 2/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL16848004 0.85 MEN1 (0.54) HTR7HTR2AHTR1AHTR1DHTR1B
SCHEMBL31114400 0.82 CA2 (0.69) HTR7HTR2AHTR1AHTR1DHTR1B
SCHEMBL1034882 0.82 CA2 (0.69) HTR7HTR2AHTR1AHTR1DHTR1B
SCHEMBL4094631 0.82 POLB (0.72) HTR7HTR2AHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL10772018 0.81 CA2 (0.67) HTR7HTR2AHTR1AHTR1DHTR1B
SCHEMBL14805818 0.81 GAA (0.51) MEN1KMT2AALDH1A1KDM1AMAOA
SCHEMBL9781364 0.81 MEN1 (0.53) MEN1KMT2AALDH1A1KDM1AMAOA
SCHEMBL4976340 0.80 TTR (0.67) MEN1KMT2AALDH1A1KDM1AMAOA
SCHEMBL5541189 0.80 GAA (0.50) MEN1KMT2AALDH1A1KDM1AMAOA
SCHEMBL22489532 0.80 MRGPRX4 (0.51) HTR7HTR2AHTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974782-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-22 US disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 US disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP 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 (5 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B HTR7 151/4885HTR2A 4216/4885HTR1A 2827/4885
US-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A HTR7 1173/4885HTR2A 1428/4885HTR1A 966/4885
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A HTR7 750/4885HTR2A 1422/4885HTR1A 834/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A HTR7 972/4885HTR2A 1313/4885HTR1A 749/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A HTR7 750/4885HTR2A 1422/4885HTR1A 834/4885

“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.