SCHEMBL14685157

SCHEMBL14685157

COc1ccn2c(C)c(C(C)C)nc2n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 3/20 0.37
▸ AKT1 P31749 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL15767157 0.83 GPR139 (0.34) GPR139AKT1AKT2GABRA1GABRG2
SCHEMBL14572002 0.68 KDM4E (0.33) —
SCHEMBL14276910 0.68 KDM4E (0.40) AKT1AKT2
SCHEMBL14685219 0.67 CYP1A2 (0.42) AKT1AKT2PDE10A
SCHEMBL15077682 0.66 KMT2A (0.42) PDE10A
SCHEMBL15767066 0.66 SUV39H2 (0.32) GPR139
SCHEMBL30939171 0.65 AKT1 (0.36) GPR139AKT1AKT2GABRA1GABRG2
SCHEMBL2738311 0.65 ALDH1A1 (0.55) PDE10A
SCHEMBL31729104 0.64 GPR139 (0.39) GPR139AKT1AKT2
SCHEMBL7224848 0.63 GABRG2 (0.43) GPR139AKT1AKT2GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 — — EP disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 — — US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 — — US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 — — EP disclosed
WO-2013018899-A1 DIBENZOOXEPIN DERIVATIVE 協和発酵キリン株式会社 (JP) 2013-02-07 — — WO 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-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD GPR139 495/4885AKT1 854/4885AKT2 571/4885

“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.

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