SCHEMBL16867191

SCHEMBL16867191

CCOC(=O)C1OCCN1C(=O)c1cc(C)ccc1-n1nccn1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.56
HCRTR2 O43614 20/20 0.56
CYP3A4 P08684 7/20 0.55

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
SCHEMBL16867192 0.94 HCRTR1 (0.57) HCRTR1HCRTR2CYP3A4
SCHEMBL16649041 0.87 HCRTR1 (0.59) HCRTR1HCRTR2CYP3A4
SCHEMBL16648798 0.85 HCRTR2 (0.54) HCRTR1HCRTR2CYP3A4
SCHEMBL20653874 0.84 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL30266267 0.84 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL16867193 0.84 HCRTR2 (0.54) HCRTR1HCRTR2CYP3A4
SCHEMBL16648804 0.84 HCRTR2 (0.54) HCRTR1HCRTR2CYP3A4
SCHEMBL16661690 0.83 HCRTR2 (0.53) HCRTR1HCRTR2CYP3A4
SCHEMBL16648995 0.81 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL21952210 0.81 HCRTR1 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HCRTR1 2/4885HCRTR2 1/4885CYP3A4 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.