SCHEMBL6749560

SCHEMBL6749560

COCN1c2cc(CN3CCC(NC(=O)NCC(=O)O)CC3)ccc2Sc2nccnc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 13/20 0.47
MCHR1 Q99705 5/20 0.40
DRD4 P21917 1/20 0.39
VCAM1 P19320 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8317486 0.85 ICAM1 (0.47) ICAM1VCAM1
SCHEMBL8322460 0.81 ICAM1 (0.40) ICAM1VCAM1
SCHEMBL6745730 0.77 HDAC6 (0.43) ICAM1KDM4EHSD17B10
SCHEMBL6749298 0.75 ICAM1 (0.57) ICAM1VCAM1
SCHEMBL6745797 0.75 HDAC6 (0.41) ICAM1
SCHEMBL6751892 0.75 ICAM1 (0.43) ICAM1KDM4E
SCHEMBL6751888 0.75 ICAM1 (0.43) ICAM1KDM4E
SCHEMBL6747260 0.75 ICAM1 (0.35) ICAM1VCAM1HRH3
SCHEMBL7141889 0.75 ICAM1 (0.38) ICAM1
SCHEMBL6745468 0.75 HDAC6 (0.43) ICAM1KDM4E

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 2 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

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 412/4885MCHR1 1542/4885DRD4 439/4885

“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.