SCHEMBL3449253

SCHEMBL3449253

CN1C=C2C(=O)N(C3CCN(C(=O)[C@@H](CCCCC(C)(C)C)NC(=O)O)CC3)CN2C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.31
TGM2 P21980 3/20 0.31
OPRK1 P41145 1/20 0.30
CCR1 P32246 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
SCHEMBL3449985 0.98 CCKBR (0.32) CCKBRTGM2CCR1
SCHEMBL3450145 0.94 CALCRL (0.32) CCR1
SCHEMBL6015003 0.89 CCKBR (0.40) CCKBRTGM2CCR1
SCHEMBL6015073 0.87 CCR1 (0.40) CCKBRCCR1
SCHEMBL6015112 0.85 CCR1 (0.38) CCR1
SCHEMBL6015148 0.85 UBE2N (0.41) CCR1
SCHEMBL3447639 0.84 MAPK1 (0.32) CCKBRCCR1
SCHEMBL6015029 0.83 CCR1 (0.40) CCKBRCCR1
SCHEMBL6014965 0.83 CCR1 (0.39) CCR1
SCHEMBL3449306 0.82 TSHR (0.31) CCR1

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 CCKBR 515/4885TGM2 2164/4885OPRK1 1257/4885

“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.