SCHEMBL6749044

SCHEMBL6749044

O=C1CCC2(CC1)CN(Cc1ccccc1)C2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
USP2 O75604 3/20 0.56
GAA P10253 1/20 0.56
CYP3A4 P08684 4/20 0.51
SIGMAR1 Q99720 2/20 0.49
TSHR P16473 4/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL484644 0.89 SIGMAR1 (0.56) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL14027000 0.85 ALDH1A1 (0.64) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL8892977 0.82 GAA (0.59) CYP2D6MEN1KMT2AUSP2GAA
SCHEMBL31230946 0.82 CYP2D6 (0.61) CYP2D6MEN1KMT2AUSP2GAA
SCHEMBL3464617 0.82 CYP2D6 (0.61) CYP2D6MEN1KMT2AUSP2GAA
SCHEMBL27798357 0.81 SIGMAR1 (0.62) CYP2D6MEN1KMT2AUSP2GAA
SCHEMBL31230966 0.80 CYP2D6 (0.59) CYP2D6MEN1KMT2AUSP2GAA
SCHEMBL5243003 0.78 CYP2D6 (0.67) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL17444058 0.78 DDB1 (0.45) CYP2D6MEN1KMT2AUSP2GAA
SCHEMBL31230967 0.77 CYP2D6 (0.55) CYP2D6MEN1KMT2AUSP2GAA

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 CYP2D6 32/4885MEN1 4580/4885KMT2A 3395/4885

“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.