SCHEMBL16648798

SCHEMBL16648798

CCOC(=O)C1OCC(C)CN1C(=O)c1cc(C)ccc1-n1nccn1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.54
HCRTR1 O43613 18/20 0.54
CYP3A4 P08684 8/20 0.54

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
SCHEMBL16649143 0.88 HCRTR2 (0.56) HCRTR2HCRTR1CYP3A4
SCHEMBL16648804 0.87 HCRTR2 (0.54) HCRTR2HCRTR1CYP3A4
SCHEMBL16867193 0.87 HCRTR2 (0.54) HCRTR2HCRTR1CYP3A4
SCHEMBL16867191 0.85 HCRTR1 (0.56) HCRTR2HCRTR1CYP3A4
SCHEMBL16867192 0.83 HCRTR1 (0.57) HCRTR2HCRTR1CYP3A4
SCHEMBL16648859 0.83 HCRTR2 (0.61) HCRTR2HCRTR1CYP3A4
SCHEMBL16649053 0.82 HCRTR2 (0.61) HCRTR2HCRTR1CYP3A4
SCHEMBL16661690 0.79 HCRTR2 (0.53) HCRTR2HCRTR1CYP3A4
SCHEMBL16648840 0.77 HCRTR2 (0.55) HCRTR2HCRTR1CYP3A4
SCHEMBL16648852 0.76 HCRTR2 (0.61) HCRTR2HCRTR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9266870-B2 Heteroaromatic methyl cyclic amine derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-02-23 US 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
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-07-02 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 (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-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE HCRTR2, HCRTR1, HTR2B HCRTR2 1/4885HCRTR1 2/4885CYP3A4 1216/4885

“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.