SCHEMBL3449556

SCHEMBL3449556

CC[C@H](C)[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.45
EPHX2 P34913 6/20 0.40
FPR2 P25090 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL3450530 0.93 CCR1 (0.44) CCR1EPHX2TRPV1
SCHEMBL3449084 0.92 CCR1 (0.54) CCR1
SCHEMBL3449233 0.92 CCR1 (0.54) CCR1
SCHEMBL3450219 0.89 CCR1 (0.42) CCR1EPHX2FPR2
SCHEMBL3450156 0.88 CCR1 (0.45) CCR1EPHX2TRPV1
SCHEMBL3452313 0.86 CCR1 (0.44) CCR1EPHX2FPR2MEN1KMT2A
SCHEMBL3449004 0.86 CCR1 (0.41) CCR1EPHX2FPR2MEN1KMT2A
SCHEMBL3450194 0.86 CCR1 (0.44) CCR1EPHX2FPR2TRPV1
SCHEMBL3450096 0.86 CCR1 (0.41) CCR1EPHX2FPR2TRPV1
SCHEMBL3450993 0.85 EPHX2 (0.45) CCR1EPHX2FPR2

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 2570/4885EPHX2 607/4885FPR2 417/4885

“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.