SCHEMBL3138914

SCHEMBL3138914

CN1CCC(=C2c3ccccc3COc3cc(C(=O)OCC(N)=O)ccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ SETD7 Q8WTS6 3/20 0.43
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ PTAFR P25105 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.37

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
SCHEMBL3131301 0.93 KCNH2 (0.49) KCNH2SETD7GAAKDM4EPTAFR
SCHEMBL3132994 0.91 SETD7 (0.45) KCNH2SETD7GAAKDM4EALDH1A1
SCHEMBL490196 0.86 SETD7 (0.48) KCNH2SETD7GAAKDM4EPTAFR
SCHEMBL490195 0.82 SETD7 (0.51) KCNH2SETD7PTAFRALDH1A1MEN1
Hydrochloric Acid SCHEMBL3136931 0.80 SETD7 (0.44) KCNH2SETD7GAAKDM4EPTAFR
SCHEMBL3134805 0.80 SETD7 (0.47) KCNH2SETD7GAAKDM4EALDH1A1
SCHEMBL490434 0.79 OPRD1 (0.48) KCNH2SETD7PTAFRMEN1MAPT
SCHEMBL490493 0.79 ROCK2 (0.48) KCNH2SETD7ALDH1A1
SCHEMBL3138906 0.78 ROCK2 (0.45) KCNH2SETD7KDM4EALDH1A1RAB9A
SCHEMBL3131643 0.75 KCNH2 (0.56) KCNH2SETD7PTAFRLMNAMEN1

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
EP-2067777-B1 OXEPIN DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2013-08-14 — — EP disclosed
US-8222419-B2 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 — — US disclosed
US-20100004456-A1 Oxepin derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
EP-2067777-A1 OXEPIN DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-06-10 — — 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-20100004456-A1 Oxepin derivative HRH4, HRH3, HCRTR2 KCNH2 1909/4885SETD7 2087/4885GAA 4528/4885

“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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