SCHEMBL5539189

SCHEMBL5539189

O=CCCCc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.53
CHRM2 P08172 2/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
PNMT P11086 1/20 0.47
AOC3 Q16853 1/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.45
C3AR1 Q16581 1/20 0.45
DAO P14920 2/20 0.44

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
SCHEMBL5541023 0.95 TAAR1 (0.52) TAAR1CHRM2CHRM1CHRM3HTR3E
SCHEMBL5539437 0.93 TAAR1 (0.50) TAAR1CHRM2CHRM1CHRM3HTR3E
SCHEMBL67484 0.89 TAAR1 (0.57) TAAR1CHRM2CHRM1CHRM3HTR3E
SCHEMBL5241228 0.82 TAAR1 (0.68) TAAR1CHRM2HTR3EHTR3BHTR3A
SCHEMBL11514397 0.81 TAAR1 (0.53) TAAR1CHRM2CHRM1CHRM3HTR3E
SCHEMBL31567921 0.80 TAAR1 (0.65) TAAR1CHRM2CHRM1CHRM3HTR3E
SCHEMBL1046229 0.79 TAAR1 (0.59) TAAR1CHRM2CHRM1CHRM3HTR3E
SCHEMBL167780 0.78 PNMT (0.56) TAAR1CHRM2CHRM1CHRM3HTR3E
SCHEMBL6083781 0.78 TAAR1 (0.53) TAAR1ALDH1A1DAO
SCHEMBL8827726 0.78 TSHR (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248418-B 3-alkynyl-2, 4-diester-based pyrrole compound and preparation method thereof 浙大城市学院 2023-03-31 CN disclosed
WO-2022108984-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MACROCYCLIC MCL1 INHIBITORS GILEAD SCIENCES, INC. (US) 2022-05-27 WO disclosed
CN-113248418-A 3-alkynyl-2, 4-diester-based pyrrole compound and preparation method thereof 浙大城市学院 2021-08-13 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TAAR1 364/4885CHRM2 862/4885CHRM1 463/4885

“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.