SCHEMBL3131301

SCHEMBL3131301

CN1CCC(=C2c3ccc(C(=O)OCC(N)=O)cc3COc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.49
▸ SETD7 Q8WTS6 3/20 0.45
▸ GAA P10253 3/20 0.40
▸ PTAFR P25105 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3138914 0.93 KCNH2 (0.44) KCNH2SETD7GAAPTAFRKDM4E
SCHEMBL3132994 0.93 SETD7 (0.45) KCNH2SETD7GAAKDM4EALDH1A1
SCHEMBL3131643 0.83 KCNH2 (0.56) KCNH2SETD7PTAFRMAPTMEN1
SCHEMBL3134805 0.82 SETD7 (0.47) KCNH2SETD7GAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3136931 0.80 SETD7 (0.44) KCNH2SETD7GAAPTAFRKDM4E
SCHEMBL490196 0.79 SETD7 (0.48) KCNH2SETD7GAAPTAFRKDM4E
SCHEMBL490195 0.75 SETD7 (0.51) KCNH2SETD7PTAFRALDH1A1MAPT
SCHEMBL11600017 0.75 SETD7 (0.71) KCNH2SETD7PTAFRALDH1A1MAPT
SCHEMBL3138857 0.74 SETD7 (0.53) KCNH2SETD7CYP3A4HTT
SCHEMBL13870476 0.74 SETD7 (0.58) KCNH2SETD7PTAFRALDH1A1MAPT

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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