SCHEMBL3452013

SCHEMBL3452013

CN1C=C2C(=O)N(C3CCN(C(=O)[C@H](NC(=O)Nc4ccc(F)cc4)c4ccccc4)CC3)CN2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
CCR3 P51677 2/20 0.37
EPHX2 P34913 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CCR5 P51681 1/20 0.36
CCR1 P32246 2/20 0.35
FPR2 P25090 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL3447659 0.94 CCR1 (0.39) F10F2PRSS1EPHX2CCR1
SCHEMBL3449332 0.93 CCR3 (0.38) F10CCR3EPHX2CCR5CCR1
SCHEMBL3451846 0.92 EPHX2 (0.44) CCR3EPHX2
SCHEMBL3451848 0.92 CCR1 (0.44) F10F2EPHX2CCR1FPR2
SCHEMBL3447685 0.92 FPR2 (0.45) F10EPHX2FPR2
SCHEMBL3450668 0.92 CCR1 (0.44) F10F2EPHX2CCR1FPR2
SCHEMBL3449677 0.92 CCR1 (0.44) F10F2EPHX2CCR1FPR2
SCHEMBL3449116 0.90 MEN1 (0.40) CCR3EPHX2FPR2ALDH1A1LMNA
SCHEMBL3449248 0.90 FPR2 (0.43) F10CCR1FPR2
SCHEMBL3448955 0.90 EP300 (0.38) F10FPR2

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 1/4885PRSS1 1018/4885

“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.