SCHEMBL6750641

SCHEMBL6750641

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.54
SIGMAR1 Q99720 1/20 0.54
ACHE P22303 2/20 0.54
BCHE P06276 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CCR8 P51685 1/20 0.54
ABL1 P00519 1/20 0.53
RIN1 Q13671 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53

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 SCHEMBL3156656 0.86 ABL1 (0.56) OPRM1SIGMAR1ACHEBCHEABL1
SCHEMBL7810400 0.86 ABL1 (0.56) OPRM1SIGMAR1ACHEALDH1A1ABL1
SCHEMBL26096557 0.84 ABL1 (0.54) OPRM1SIGMAR1ACHEALDH1A1ABL1
SCHEMBL9220507 0.83 MEN1 (0.55) OPRM1SIGMAR1ACHEBCHEALDH1A1
SCHEMBL6745574 0.82 ALDH1A1 (0.48) OPRM1SIGMAR1ACHEBCHEALDH1A1
SCHEMBL21385141 0.82 MAPT (0.45) ALDH1A1CYP2C9
SCHEMBL608528 0.82 ALDH1A1 (0.76) ALDH1A1CCR8
SCHEMBL5238880 0.81 ABL1 (0.55) OPRM1SIGMAR1ACHEBCHEALDH1A1
SCHEMBL30518674 0.81 MAPK1 (0.46) ALDH1A1CYP2D6CYP2C9
SCHEMBL3313145 0.81 ALDH1A1 (0.57) SIGMAR1ALDH1A1

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 8 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
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 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 OPRM1 1879/4885SIGMAR1 1579/4885ACHE 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.