SCHEMBL6857064

SCHEMBL6857064

COCN1c2cc(CN3CCCC(CO)C3)ccc2Sc2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CYP2D6 P10635 1/20 0.42
ICAM1 P05362 9/20 0.42
CD274 Q9NZQ7 2/20 0.40
LTA4H P09960 1/20 0.38
HTT P42858 1/20 0.37
PDE2A O00408 1/20 0.36
CNR2 P34972 1/20 0.36
S1PR1 P21453 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL6847680 0.87 ICAM1 (0.37) ICAM1MAOAMAOB
SCHEMBL6842033 0.82 ICAM1 (0.36) ICAM1CD274HTTMAOAMAOB
SCHEMBL6749064 0.79 HDAC6 (0.41) ICAM1
SCHEMBL6751894 0.78 HDAC6 (0.35) ICAM1
SCHEMBL6746519 0.77 HDAC6 (0.40) ICAM1
SCHEMBL6746486 0.77 ICAM1 (0.42) ICAM1
SCHEMBL6749298 0.76 ICAM1 (0.57) ICAM1
SCHEMBL6751862 0.76 HDAC6 (0.39) LTA4H
SCHEMBL6748083 0.76 HDAC6 (0.39) ICAM1
SCHEMBL6746539 0.75 HDAC6 (0.41) ICAM1

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 MAPT 1257/4885CYP2D6 32/4885ICAM1 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.