SCHEMBL3449353

SCHEMBL3449353

Cc1nc(C)n2c1CN(N1CCN(C(=O)[C@H](NC(=O)O)C(C)(C)C)CC1)C2=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.32
CNR2 P34972 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL13123325 0.83 CNR1 (0.32)
SCHEMBL3450470 0.83 CCR1 (0.37) CCR1CNR2F10
SCHEMBL3452128 0.83 F10 (0.45) CCR1CNR2F10
SCHEMBL6015124 0.81 POLB (0.32) CCR1CNR2F10
SCHEMBL14541260 0.81 FPR2 (0.32) F10
SCHEMBL6015054 0.81 F10 (0.44) CCR1CNR2F10
SCHEMBL3449738 0.78 F10 (0.35) CCR1CNR2F10
SCHEMBL3448456 0.72 F10 (0.42) F10
SCHEMBL3448865 0.71 F10 (0.41) CNR2F10
SCHEMBL3449377 0.69 F10 (0.46) F10

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 3 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
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP 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 CCR1 2570/4885CNR2 149/4885F10 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.