SCHEMBL1046534

SCHEMBL1046534

OCCCCCCc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.56
HTR3B O95264 3/20 0.56
HTR3A P46098 3/20 0.56
HTR3D Q70Z44 3/20 0.56
HTR3C Q8WXA8 3/20 0.56
TAAR1 Q96RJ0 3/20 0.55
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
CHRM2 P08172 1/20 0.49
PNMT P11086 1/20 0.48
NAAA Q02083 2/20 0.48
AOC3 Q16853 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
TBXA2R P21731 1/20 0.46

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
SCHEMBL3030059 1.00 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7740676 1.00 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1047900 0.98 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL82224 0.92 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31567921 0.90 TAAR1 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2176833 0.86 CYP4F2 (0.56) CYP4F2CYP4A11TBXA2R
SCHEMBL12040536 0.84 TAAR1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL625264 0.84 TAAR1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5241228 0.83 TAAR1 (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL238401 0.83 CYP4F2 (0.58) CYP4F2CYP4A11TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277665-B1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2020-03-04 EP disclosed
US-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-29 US disclosed
WO-2016154749-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-10-06 WO disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR3E 4362/4885HTR3B 3377/4885HTR3A 4208/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR3E 4362/4885HTR3B 3377/4885HTR3A 4208/4885
US-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF HTR5A, EDNRA, HTR3E HTR3E 3/4885HTR3B 12/4885HTR3A 9/4885

“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.