SCHEMBL15767395

SCHEMBL15767395

COCc1nc2c(C(C)(C)O)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.49
▸ PTGES O14684 18/20 0.42

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
SCHEMBL12385442 0.81 CHEK1 (0.39) —
SCHEMBL15767459 0.78 CACNA1H (0.43) CACNA1HPTGES
SCHEMBL7485025 0.76 CHEK1 (0.57) CACNA1HPTGES
SCHEMBL15767238 0.76 SMN1; SMN2 (0.52) CACNA1HPTGES
SCHEMBL1917800 0.76 PSMB8 (0.47) CACNA1HPTGES
SCHEMBL23581718 0.73 PARP1 (0.61) —
SCHEMBL15767242 0.73 PKN1 (0.57) PTGES
SCHEMBL13672554 0.73 CHEK1 (0.41) CACNA1H
SCHEMBL11019853 0.72 CNR2 (0.46) CACNA1H
SCHEMBL7475180 0.70 PKN1 (0.51) CACNA1H

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
US-20130131021-A1 ANALOGUES OF CILOSTAZOL CONCERT PHARMACEUTICALS INC. (US) 2013-05-23 — — 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 (2 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-20130131021-A1 ANALOGUES OF CILOSTAZOL PDE3A, PDE3B, PDE5A CACNA1H 2080/4885PTGES 66/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD CACNA1H 4271/4885PTGES 784/4885

“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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