SCHEMBL6747684

SCHEMBL6747684

CC(C)(CC#N)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR119 Q8TDV5 10/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL123942 0.82 MEN1 (0.52) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL6749268 0.82 HPGD (0.50) MAPTGPR119HPGDKDM4EPKM
SCHEMBL7834433 0.82 HPGD (0.55) MAPTGPR119HPGDKDM4EPKM
SCHEMBL7499379 0.81 HPGD (0.49) MAPTGPR119HPGDKDM4EPKM
SCHEMBL1774237 0.81 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL7512914 0.79 HPGD (0.53) MAPTGPR119HPGDKDM4EPKM
SCHEMBL1772547 0.79 GPR119 (0.51) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL447042 0.79 HPGD (0.55) MAPTGPR119HPGDKDM4EPKM
SCHEMBL18711867 0.78 HPGD (0.51) MAPTGPR119HPGDKDM4EPKM
SCHEMBL22648884 0.78 HPGD (0.51) MAPTGPR119HPGDKDM4EPKM

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 MEN1 4580/4885ALDH1A1 145/4885MAPT 1257/4885

“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.