SCHEMBL6750325

SCHEMBL6750325

CCOC(=O)CCN1c2ccccc2N(COC)c2nccnc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NOTUM Q6P988 1/20 0.39
LMNA P02545 2/20 0.39
CREBBP Q92793 1/20 0.39
ALDH3A1 P30838 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH2 P05091 1/20 0.37
TNF P01375 4/20 0.37

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
SCHEMBL6749201 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANOTUMLMNA
SCHEMBL6749236 0.78 ALDH1A1 (0.41) MAPTTSHRNPSR1ALDH1A1KMT2A
SCHEMBL6749056 0.77 CA12 (0.38) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7140092 0.76 MTNR1A (0.39)
SCHEMBL6747496 0.75 TP53 (0.33) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13722157 0.70 MAPT (0.66) MAPTTSHRNPSR1ALDH1A1MEN1
SCHEMBL6420673 0.70 NOTUM (0.61) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL18974747 0.68 CES1 (0.59) MAPTALDH1A1KMT2AALDH3A1ALDH2
SCHEMBL29564490 0.68 NOTUM (0.52) NPSR1MEN1KMT2ANOTUM
SCHEMBL9798486 0.67 HPGD (0.63) MAPTTSHRALDH1A1MEN1KMT2A

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 2 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

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 1257/4885TSHR 3062/4885NPSR1 556/4885

“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.