SCHEMBL16648995

SCHEMBL16648995

Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.57
HCRTR2 O43614 20/20 0.57

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
SCHEMBL21952210 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL16649041 0.93 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL30266267 0.89 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL20653874 0.89 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL16867192 0.88 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL20653965 0.88 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL20653868 0.85 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL16648699 0.85 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL16648819 0.84 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL16661718 0.83 HCRTR1 (0.63) HCRTR1HCRTR2

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
US-11198690-B2 Method for producing (2S)-2-[(1H-pyrazol-1-yl)methyl]-1,3-oxazinane derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-12-14 US disclosed
US-20210147400-A1 METHOD FOR PRODUCING (2S)-2-[(1H-PYRAZOL-1-YL)METHYL]-1,3-OXAZINANE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-05-20 US disclosed
WO-2019013244-A1 METHOD FOR PRODUCING (2S)-2-[(1H-PYRAZOL-1-YL)METHYL]-1,3-OXAZINANE DERIVATIVE 大正製薬株式会社 2019-01-17 WO disclosed
EP-2862860-B1 1,3-OXAZOLIDINE OR 1,3-OXAZINANE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO LTD (JP) 2016-12-21 EP disclosed
US-9266870-B2 Heteroaromatic methyl cyclic amine derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-02-23 US disclosed
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-07-02 US disclosed
EP-2862860-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2015-04-22 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 (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-11198690-B2 Method for producing (2S)-2-[(1H-pyrazol-1-yl)methyl]-1,3-oxazinane derivative AGXT, GRHPR, HPD HCRTR1 4362/4885HCRTR2 3970/4885
US-20210147400-A1 METHOD FOR PRODUCING (2S)-2-[(1H-PYRAZOL-1-YL)METHYL]-1,3-OXAZINANE DERIVATIVE AGXT, GRHPR, HPD HCRTR1 4362/4885HCRTR2 3970/4885
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE HCRTR2, HCRTR1, HTR2B HCRTR1 2/4885HCRTR2 1/4885

“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.