SCHEMBL3138906

SCHEMBL3138906

CN1CCC(=C2c3ccccc3COc3cc(C(=O)NCCO)ccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KCNH2 Q12809 1/20 0.44
SETD7 Q8WTS6 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD3 P35462 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPK14 Q16539 1/20 0.41

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
SCHEMBL3142605 0.92 KDM4E (0.45) KDM4ENPC1RAB9AKCNH2SETD7
SCHEMBL3132987 0.91 SETD7 (0.46) KDM4ENPC1RAB9AKCNH2SETD7
SCHEMBL490493 0.90 ROCK2 (0.48) ROCK2KCNH2SETD7ALDH1A1ROCK1
SCHEMBL490195 0.83 SETD7 (0.51) KCNH2SETD7ALDH1A1DRD3
SCHEMBL490196 0.83 SETD7 (0.48) ROCK2KDM4EKCNH2SETD7ALDH1A1
SCHEMBL3138213 0.80 MAPK1 (0.46) ROCK2KDM4EKCNH2SETD7
SCHEMBL490434 0.80 OPRD1 (0.48) ROCK2KCNH2SETD7HPGD
SCHEMBL490273 0.79 OPRD1 (0.46) ROCK2KCNH2DRD3ROCK1
SCHEMBL3030798 0.78 TP53 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL490378 0.78 ROCK2 (0.48) ROCK2KCNH2ROCK1

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 ROCK2 2930/4885KDM4E 1720/4885NPC1 923/4885

“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.