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SCHEMBL8737661

SCHEMBL8737661

CN(CC(=O)NC1CCCC1)c1nc(Cc2ccc(NC(=O)c3cccnc3)cc2)nc(Cl)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 1/20 0.46
▸ PTGDR Q13258 1/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ GAA P10253 2/20 0.40
▸ ACKR3 P25106 2/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ GFER P55789 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL2007358 0.93 PTGDR2 (0.51) TBXA2RPTGDRPTGDR2SMN1; SMN2RAB9A
SCHEMBL1654179 0.89 PTGDR2 (0.53) TBXA2RPTGDRPTGDR2GAAACKR3
SCHEMBL2008542 0.88 PTGDR2 (0.52) TBXA2RPTGDRPTGDR2SMN1; SMN2RAB9A
SCHEMBL8737847 0.87 TBXA2R (0.44) TBXA2RPTGDRPTGDR2SMN1; SMN2RAB9A
SCHEMBL1651183 0.87 PTGDR2 (0.47) TBXA2RPTGDRPTGDR2RAB9ANPC1
SCHEMBL1651074 0.87 PTGDR2 (0.49) TBXA2RPTGDRPTGDR2ACKR3
SCHEMBL2007861 0.86 PTGDR2 (0.47) TBXA2RPTGDRPTGDR2RAB9ANPC1
SCHEMBL2003191 0.86 TBXA2R (0.43) TBXA2RPTGDRPTGDR2SMN1; SMN2RAB9A
SCHEMBL8738226 0.86 PTGDR2 (0.44) TBXA2RPTGDRPTGDR2SMN1; SMN2RAB9A
SCHEMBL1652441 0.86 PTGDR2 (0.50) TBXA2RPTGDRPTGDR2SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 GB005, INC. 2010-12-23 — — US disclosed
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 GB005, INC. 2010-12-23 — — US disclosed
US-7812160-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
US-7812160-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
WO-2010089391-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 — — WO disclosed
US-20070129355-A1 G-protein-coupled chemoattractant receptor, expressed on T helper cells antagonists such as [4-(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acetic acid;, used for the treatment of allergic diseases, inflammatory diseases, eosinophil- and basophil-related diseases ACTIMIS PHARMACEUTICALS, INC. (US) 2007-06-07 — — US disclosed
US-20070129355-A1 G-protein-coupled chemoattractant receptor, expressed on T helper cells antagonists such as [4-(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acetic acid;, used for the treatment of allergic diseases, inflammatory diseases, eosinophil- and basophil-related diseases ACTIMIS PHARMACEUTICALS, INC. (US) 2007-06-07 — — 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-20070129355-A1 G-protein-coupled chemoattractant receptor, expressed on T helper cells antagonists such as [4-(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acetic acid;, used for the treatment of allergic diseases, inflammatory diseases, eosinophil- and basophil-related diseases HRH2, HRH1, HRH4 TBXA2R 48/4885PTGDR 81/4885PTGDR2 78/4885
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 HRH2, HRH1, CXCR2 TBXA2R 60/4885PTGDR 111/4885PTGDR2 73/4885
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS HRH2, HRH1, HRH4 TBXA2R 20/4885PTGDR 30/4885PTGDR2 11/4885

“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.