SCHEMBL5536025

SCHEMBL5536025

[CH2]c1ccc2c(c1)C(C)(C)CN2C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
F2 P00734 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30

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
SCHEMBL5536032 0.79 ALDH1A1 (0.43) KDM4EALDH1A1F2GAAHTT
SCHEMBL5540493 0.78 RARB (0.33) NOTUMRARB
SCHEMBL3308604 0.78 NOTUM (0.43) NOTUMKDM4EALDH1A1SMN1; SMN2
SCHEMBL17771804 0.78 SIGMAR1 (0.38) ALDH1A1GAASMN1; SMN2
SCHEMBL17771703 0.78 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5468863 0.78 MAPT (0.38) KDM4EALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9917021 0.78 SLC6A2 (0.42) NOTUMKDM4EALDH1A1
SCHEMBL5539773 0.77 RARA (0.38) RARARARB
SCHEMBL5543901 0.77
SCHEMBL5542430 0.77 SLC22A12 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023126978-A1 PROCESS TO PREPARE OCTOPAMINE SULFATE DIRECTOR, NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH, GUWAHATI (NIPER-G) (IN) 2023-07-06 WO disclosed
WO-2021028935-A1 HETEROCYCLIC COMPOUNDS, AND THEIR USE AS ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) DR REDDY'S INSTITUTE OF LIFE SCIENCES (IN) 2021-02-18 WO 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
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
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 NOTUM 3827/4885KDM4E 4854/4885ALDH1A1 355/4885

“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.