SCHEMBL1047871

SCHEMBL1047871

[CH2]CCCCCc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR3A P46098 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
TAAR1 Q96RJ0 3/20 0.55
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 2/20 0.48
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
PNMT P11086 1/20 0.48
AOC3 Q16853 1/20 0.47
BACE1 P56817 1/20 0.45
NAAA Q02083 1/20 0.45
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43

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
SCHEMBL3030471 0.98 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL900927 0.92 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31567921 0.90 TAAR1 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12040536 0.84 TAAR1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL400182 0.84 TAAR1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5241228 0.83 TAAR1 (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15061331 0.83 MAOB (0.66)
SCHEMBL27900185 0.81 MAOB (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL24244205 0.81 LPL (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6527706 0.81 TAAR1 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C

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-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
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
CN-102895230-A Antituberculous composition comprising oxazole compounds OTSUKA PHARMA CO LTD 2013-01-30 CN disclosed
CN-101277740-B Antituberculous composition comprising azole compound OTSUKA PHARMA CO LTD 2012-12-05 CN 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
CN-101277740-A Antituberculous compositions comprising * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-10-01 CN disclosed
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO disclosed
WO-2007043542-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-19 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 (2 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

“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.