SCHEMBL3452016

SCHEMBL3452016

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
F10 P00742 1/20 0.40
ALDH1A1 P00352 2/20 0.36
CHRM1 P11229 2/20 0.36
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CHRM3 P20309 3/20 0.35
ACHE P22303 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
USP5 P45974 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 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
SCHEMBL3449524 0.76 CCR1 (0.33)
SCHEMBL6015115 0.75 L3MBTL3 (0.43) L3MBTL3L3MBTL1F10ALDH1A1CHRM1
SCHEMBL3448782 0.73 VNN1 (0.41) F10KCNH2
SCHEMBL3449578 0.73 F10 (0.41) F10
SCHEMBL3450076 0.72 VNN1 (0.42) F10CHRM1
SCHEMBL4685372 0.71 L3MBTL3 (0.47) L3MBTL3L3MBTL1F10ALDH1A1
SCHEMBL6600988 0.71 L3MBTL3 (0.47) L3MBTL3L3MBTL1F10ALDH1A1
SCHEMBL1464487 0.70 L3MBTL3 (0.55) L3MBTL3L3MBTL1ALDH1A1KCNH2HRH3
SCHEMBL28730371 0.70 HSD17B10 (0.41) ALDH1A1CHRM1CHRM3KDM4ETSHR
SCHEMBL28730369 0.70 HSD17B10 (0.41) ALDH1A1CHRM1CHRM3KDM4ETSHR

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.