SCHEMBL6749436

SCHEMBL6749436

CCC(C(=O)O)N1CCC(N(Cc2ccc3c(c2)N(COC)c2nccnc2S3)C(C)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 14/20 0.34
DCUN1D1 Q96GG9 14/20 0.34
ICAM1 P05362 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL7141889 0.87 ICAM1 (0.38) ICAM1HDAC6
SCHEMBL6747260 0.84 ICAM1 (0.35) ICAM1HDAC6
SCHEMBL6745730 0.73 HDAC6 (0.43) ICAM1HDAC6
SCHEMBL6745329 0.73 ICAM1 (0.37) ICAM1HDAC6
SCHEMBL6747454 0.72 HDAC6 (0.43) ICAM1HDAC6
SCHEMBL6749064 0.71 HDAC6 (0.41) ICAM1HDAC6
SCHEMBL6745847 0.71 HDAC6 (0.37) HDAC6
SCHEMBL6745468 0.71 HDAC6 (0.43) ICAM1HDAC6
SCHEMBL6747276 0.71 HDAC6 (0.42) ICAM1HDAC6
SCHEMBL8322460 0.70 ICAM1 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 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 UBE2M 4468/4885DCUN1D1 1830/4885ICAM1 412/4885

“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.