SCHEMBL6747260

SCHEMBL6747260

CCC(C(=O)O)N1CCC(NCc2ccc3c(c2)N(COC)c2nccnc2S3)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 9/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KCNH2 Q12809 4/20 0.33
HRH3 Q9Y5N1 1/20 0.32
VCAM1 P19320 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8322460 0.86 ICAM1 (0.40) ICAM1HDAC6KCNH2VCAM1MEN1
SCHEMBL6745468 0.76 HDAC6 (0.43) ICAM1HDAC6KMT2A
SCHEMBL6749341 0.75 HDAC6 (0.39) HDAC6
SCHEMBL6745730 0.75 HDAC6 (0.43) ICAM1HDAC6MEN1KMT2A
SCHEMBL6749560 0.75 ICAM1 (0.47) ICAM1HRH3VCAM1
SCHEMBL6749091 0.74 HDAC6 (0.43) HDAC6
SCHEMBL6747454 0.74 HDAC6 (0.43) ICAM1HDAC6MEN1KMT2A
SCHEMBL7147790 0.73 HDAC6 (0.34) HDAC6
SCHEMBL6749064 0.73 HDAC6 (0.41) ICAM1HDAC6
SCHEMBL6747276 0.72 HDAC6 (0.42) ICAM1HDAC6

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 412/4885HDAC6 1953/4885KCNH2 762/4885

“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.