SCHEMBL3450461

SCHEMBL3450461

CN1CCC(N2CCN(C(=O)CN3CCC[CH]C3C(N)=O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F10 P00742 4/20 0.38
ACHE P22303 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
F2 P00734 2/20 0.36
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BDKRB1 P46663 1/20 0.34
KMT2A Q03164 2/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3448424 0.93 L3MBTL3 (0.41) L3MBTL3L3MBTL1F10ACHEALDH1A1
SCHEMBL3450964 0.93 L3MBTL3 (0.41) L3MBTL3L3MBTL1F10ACHEALDH1A1
SCHEMBL24802129 0.74 ALDH1A1 (0.49) L3MBTL3L3MBTL1F10ACHEALDH1A1
SCHEMBL24204406 0.72 ALDH1A1 (0.45) L3MBTL3L3MBTL1F10ACHEALDH1A1
SCHEMBL3450464 0.71 ALDH1A1 (0.44) L3MBTL3L3MBTL1F10ACHEALDH1A1
SCHEMBL4678853 0.71 L3MBTL3 (0.50) L3MBTL3L3MBTL1F10ACHEALDH1A1
SCHEMBL3450967 0.70 ALDH1A1 (0.43) L3MBTL3L3MBTL1F10ACHEALDH1A1
SCHEMBL3448427 0.70 ALDH1A1 (0.43) L3MBTL3L3MBTL1F10ACHEALDH1A1
SCHEMBL3766167 0.70 SIGMAR1 (0.50) L3MBTL3L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL14834396 0.70 LMNA (0.35) L3MBTL1LMNA

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-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-20060247238-A1 Cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 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-20060247238-A1 Cyclic amines F12, F11, F2 L3MBTL3 3721/4885L3MBTL1 4102/4885F10 4/4885

“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.