SCHEMBL3452017

SCHEMBL3452017

CN1CCC(N2CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CC(C)(C)C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 4/20 0.38
SIGMAR1 Q99720 2/20 0.37
ACHE P22303 1/20 0.35
F2 P00734 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRM1 P11229 1/20 0.34
USP5 P45974 1/20 0.33
SLC6A5 Q9Y345 2/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CCR1 P32246 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 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
SCHEMBL6015115 0.87 L3MBTL3 (0.43) L3MBTL3L3MBTL1F10SIGMAR1ACHE
SCHEMBL3449526 0.77 CCR1 (0.36) TP53CCR1
SCHEMBL3448786 0.75 VNN1 (0.43) F10CCR1
SCHEMBL3449580 0.75 F10 (0.39) F10F2ALDH1A1CCR1
SCHEMBL3449185 0.71 CCR1 (0.34) CCR1
SCHEMBL5142485 0.68 CALCRL (0.46) L3MBTL3L3MBTL1ALDH1A1
SCHEMBL4685372 0.68 L3MBTL3 (0.47) L3MBTL3L3MBTL1F10ALDH1A1CYP3A4
SCHEMBL6600988 0.68 L3MBTL3 (0.47) L3MBTL3L3MBTL1F10ALDH1A1CYP3A4
SCHEMBL1464487 0.68 L3MBTL3 (0.55) L3MBTL3L3MBTL1ACHEALDH1A1TP53
SCHEMBL5891871 0.68 L3MBTL3 (0.49) L3MBTL3L3MBTL1F10ALDH1A1CHRM1

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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 L3MBTL3 4413/4885L3MBTL1 4401/4885F10 22/4885

“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.