SCHEMBL3448283

SCHEMBL3448283

CCC(C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.47
F2 P00734 3/20 0.47
ADORA1 P30542 1/20 0.34
TP53 P04637 1/20 0.33
GPR119 Q8TDV5 3/20 0.31
CALCRL Q16602 1/20 0.31
NR3C1 P04150 3/20 0.30
HCAR1 Q9BXC0 1/20 0.30

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
SCHEMBL6015025 0.87 F10 (0.51) F10F2
SCHEMBL3449009 0.86 F10 (0.45) F10F2TP53HCAR1
SCHEMBL3450143 0.84 F10 (0.49) F10F2
SCHEMBL3448412 0.82 F10 (0.51) F10F2TP53GPR119CALCRL
SCHEMBL3450432 0.82 F10 (0.49) F10F2TP53NR3C1HCAR1
SCHEMBL3448419 0.82 F10 (0.48) F10F2
SCHEMBL3450302 0.80 F10 (0.49) F10F2
SCHEMBL3449003 0.80 F10 (0.48) F10F2TP53CALCRL
SCHEMBL3449982 0.79 F10 (0.48) F10F2
SCHEMBL3448470 0.79 F10 (0.47) F10F2TP53CALCRLNR3C1

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 F10 22/4885F2 1/4885ADORA1 3337/4885

“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.