SCHEMBL3448786

SCHEMBL3448786

CC(C)(C)CC(C)(C)[C@@H](NC(=O)O)C(=O)N1CCC(N2CCCC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.43
F10 P00742 3/20 0.39
KDM5A P29375 1/20 0.37
CCR1 P32246 2/20 0.36
ENPP2 Q13822 1/20 0.35
SPR P35270 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
SYK P43405 2/20 0.34
CNR2 P34972 1/20 0.33
MMP13 P45452 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
SCHEMBL6015105 0.90 VNN1 (0.46) VNN1F10KDM5ACCR1ENPP2
SCHEMBL6015039 0.86 VNN1 (0.47) VNN1F10KDM5ACCR1ENPP2
SCHEMBL3449580 0.83 F10 (0.39) F10CCR1ENPP2MCHR1CNR2
SCHEMBL3449526 0.83 CCR1 (0.36) CCR1MCHR1SYKCNR2
SCHEMBL3450007 0.77 CCR1 (0.33) VNN1F10CCR1CNR2
SCHEMBL3449185 0.76 CCR1 (0.34) CCR1CNR2
SCHEMBL3448615 0.76 CCR1 (0.33) F10CCR1CNR2
SCHEMBL3452017 0.75 L3MBTL3 (0.38) F10CCR1
SCHEMBL19001333 0.74 KDM5A (0.50) VNN1F10KDM5AENPP2SPR
SCHEMBL6015018 0.74 CCR1 (0.41) VNN1CCR1CNR2

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 VNN1 1496/4885F10 22/4885KDM5A 1908/4885

“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.