SCHEMBL6745643

SCHEMBL6745643

CCOC(=O)/C=C/C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.64
ACHE P22303 2/20 0.53
BCHE P06276 1/20 0.53
OPRM1 P35372 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CCR8 P51685 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49

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
SCHEMBL6745644 1.00 HDAC8 (0.64) HDAC8ACHEBCHEOPRM1HDAC1
SCHEMBL28631404 0.87 HDAC8 (0.70) HDAC8ACHEBCHEHDAC1HDAC6
SCHEMBL7496089 0.83 HDAC8 (0.75) HDAC8HDAC1HDAC6SIGMAR1
SCHEMBL7496085 0.83 HDAC8 (0.75) HDAC8HDAC1HDAC6SIGMAR1
SCHEMBL3602069 0.82 SMN1; SMN2 (0.58)
SCHEMBL3602065 0.82 SMN1; SMN2 (0.58)
SCHEMBL8541810 0.81 L3MBTL1 (0.62) HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL8541807 0.81 L3MBTL1 (0.62) HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL13600028 0.80 ALDH1A1 (0.56) OPRM1ALDH1A1CCR8KDM4EABL1
SCHEMBL17128024 0.79 L3MBTL1 (0.45) ALDH1A1SIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 HDAC8 3113/4885ACHE 2066/4885BCHE 421/4885

“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.