SCHEMBL6745622

SCHEMBL6745622

CCOC(=O)C(C)CCC1CCN(C(=O)c2ccc3c(c2)Nc2nccnc2S3)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 17/20 0.61
VCAM1 P19320 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
Hydrochloric Acid SCHEMBL6747405 0.85 ICAM1 (0.63) ICAM1VCAM1
SCHEMBL6745695 0.84 ICAM1 (0.70) ICAM1VCAM1
SCHEMBL6749083 0.83 ICAM1 (0.63) ICAM1VCAM1
Hydrochloric Acid SCHEMBL6747436 0.75 ICAM1 (0.77) ICAM1VCAM1
SCHEMBL7147240 0.73 ICAM1 (0.77) ICAM1
SCHEMBL7180856 0.69 ICAM1 (0.42) ICAM1
SCHEMBL6746537 0.68 ICAM1 (0.41) ICAM1
SCHEMBL6750738 0.68 ICAM1 (0.55) ICAM1VCAM1
SCHEMBL6745635 0.67 ALDH1A1 (0.51) ICAM1
SCHEMBL7147245 0.67 ICAM1 (0.72) ICAM1VCAM1

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 ICAM1 412/4885VCAM1 195/4885

“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.