SCHEMBL6749692

SCHEMBL6749692

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.54
SIGMAR1 Q99720 1/20 0.54
ABL1 P00519 1/20 0.53
RIN1 Q13671 1/20 0.53
ACHE P22303 3/20 0.53
CHRM3 P20309 1/20 0.52
BCHE P06276 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CCR8 P51685 1/20 0.51
HRH1 P35367 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LTA4H P09960 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL7684853 0.85 OPRM1 (0.50) OPRM1SIGMAR1ABL1RIN1ACHE
SCHEMBL9213124 0.84 MEN1 (0.52) OPRM1SIGMAR1ABL1RIN1ACHE
SCHEMBL6493003 0.84 LTA4H (0.64) OPRM1SIGMAR1ABL1RIN1ACHE
Hydrochloric Acid SCHEMBL9217805 0.83 MEN1 (0.51) OPRM1SIGMAR1ABL1RIN1ACHE
SCHEMBL6745787 0.82 CHRM3 (0.56) OPRM1ACHECHRM3BCHE
SCHEMBL31397369 0.81 SMN1; SMN2 (0.60) CCR8L3MBTL1
SCHEMBL12494719 0.81 LTA4H (0.78) LTA4H
SCHEMBL12494721 0.81 LTA4H (0.78) LTA4H
SCHEMBL18458295 0.80 SIGMAR1 (0.56) OPRM1SIGMAR1ALDH1A1
SCHEMBL5199917 0.79 ACHE (0.56) OPRM1SIGMAR1ABL1RIN1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-04-06 US disclosed
US-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-04-06 US disclosed
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 (2 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-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 OPRM1 33/4885SIGMAR1 190/4885ABL1 3758/4885
US-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 OPRM1 1879/4885SIGMAR1 1579/4885ABL1 2118/4885

“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.