SCHEMBL5544730

SCHEMBL5544730

[CH2]CCCN(C)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
MCHR1 Q99705 1/20 0.46
DHFR P00374 1/20 0.41
MAPT P10636 1/20 0.39
AOC3 Q16853 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BCL2 P10415 1/20 0.36
CHKA P35790 2/20 0.35
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCL2L1 Q07817 1/20 0.33
GAA P10253 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL5547928 0.88 CHRM1 (0.41) CHRM1HTR2AMCHR1DHFRAOC3
SCHEMBL13261441 0.80 MAPT (0.50) CHRM1HTR2AMCHR1DHFRMAPT
SCHEMBL28289217 0.80 CHRM1 (0.46) CHRM1HTR2AMCHR1DHFRMAPT
SCHEMBL5536973 0.79 CA12 (0.41) MAPTAOC3
SCHEMBL2091801 0.79 CHKA (0.43) CHRM1HTR2AMCHR1AOC3ALDH1A1
SCHEMBL17351162 0.78 KCNH2 (0.51) CHRM1HTR2AMCHR1MAPT
SCHEMBL5542642 0.78 HTR7 (0.52) MAPTAOC3ALDH1A1KDM4E
SCHEMBL5536531 0.77 RPS6KA2 (0.43) MAPTAOC3ALDH1A1KDM4EHPGD
SCHEMBL6859648 0.77 CHRM1 (0.42) CHRM1HTR2AMCHR1DHFRMAPT
SCHEMBL5539693 0.76 KIF11 (0.39) CHRM1DHFRMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRM1 463/4885HTR2A 4120/4885MCHR1 2179/4885

“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.