SCHEMBL6749650

SCHEMBL6749650

COCN1c2cc(-c3cnco3)ccc2N(C)c2nccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
AAK1 Q2M2I8 6/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K4 O95819 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PTK2 Q05397 1/20 0.35
NOTUM Q6P988 1/20 0.33
GAA P10253 1/20 0.33
TTK P33981 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
PTGDR Q13258 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
SCHEMBL6752080 0.81 CYP3A4 (0.37) CYP3A4CYP2D6AAK1LMNAPKM
SCHEMBL6745778 0.74 CASP3 (0.32)
SCHEMBL6745616 0.72 NISCH (0.33)
SCHEMBL6749118 0.72 GABRA1 (0.33)
SCHEMBL6749816 0.70 TUBB4A (0.35) LMNADYRK1A
SCHEMBL6747727 0.65 BRD4 (0.34) CYP3A4CYP2D6LMNAKMT2AKCNH2
SCHEMBL7162055 0.65 HSD17B14 (0.41) LMNAPKMKMT2A
SCHEMBL6750207 0.63 POLB (0.38) CYP2D6HRH3LTA4H
SCHEMBL12682370 0.61 PDE4A (0.58) CYP3A4CYP2D6AAK1LMNAPKM
SCHEMBL17965585 0.60 CYP11B1 (0.42) AAK1LMNAPKMCYP11B1CYP11B2

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 CYP3A4 35/4885CYP2D6 32/4885AAK1 461/4885

“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.