SCHEMBL6745574

SCHEMBL6745574

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CCR8 P51685 1/20 0.48
ACHE P22303 4/20 0.48
BCHE P06276 3/20 0.48
OPRM1 P35372 3/20 0.48
SIGMAR1 Q99720 2/20 0.48
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5238880 0.82 ABL1 (0.55) ALDH1A1CCR8ACHEBCHEOPRM1
SCHEMBL6750641 0.82 OPRM1 (0.54) ALDH1A1CCR8ACHEBCHEOPRM1
SCHEMBL28258395 0.78 ABL1 (0.55) ACHEBCHEOPRM1SIGMAR1ABL1
SCHEMBL9220507 0.77 MEN1 (0.55) ALDH1A1CCR8ACHEBCHEOPRM1
SCHEMBL608528 0.76 ALDH1A1 (0.76) ALDH1A1CCR8
Hydrochloric Acid SCHEMBL7438287 0.75 ALDH1A1 (0.74) ALDH1A1CCR8
SCHEMBL6684181 0.74 L3MBTL1 (0.47) ALDH1A1CCR8ACHEBCHEOPRM1
SCHEMBL7683649 0.74 ACHE (0.54) ALDH1A1ACHEBCHE
SCHEMBL6953942 0.74 BCHE (0.61) ALDH1A1CCR8ACHEBCHEOPRM1
SCHEMBL8809184 0.74 DRD2 (0.61) ACHEBCHESIGMAR1

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 ALDH1A1 145/4885CCR8 2084/4885ACHE 2066/4885

“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.