SCHEMBL3449576

SCHEMBL3449576

CSCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCN(N2CN3CN(C)C=C3C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
PPID Q08752 1/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
FPR2 P25090 1/20 0.36
F10 P00742 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCKBR P32239 1/20 0.35

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
SCHEMBL3450129 0.87 ALDH1A1 (0.40) CCR1LMNAFPR2F10ALDH1A1
SCHEMBL3449174 0.86 ALDH1A1 (0.39) CCR1LMNAFPR2F10ALDH1A1
SCHEMBL3448501 0.86 CCR1 (0.40) CCR1PPIDGAAHPGDLMNA
SCHEMBL3452279 0.85 F10 (0.38) FPR2F10ALDH1A1CCKBR
SCHEMBL3448775 0.85 FPR2 (0.50) FPR2ALDH1A1
SCHEMBL3450523 0.85 FPR2 (0.50) FPR2ALDH1A1
SCHEMBL6014990 0.84 NPC1 (0.39) CCR1PPIDGAALMNAALDH1A1
SCHEMBL3451660 0.84 CHRM2 (0.41) FPR2ALDH1A1
SCHEMBL3450204 0.83 CCR1 (0.40) CCR1LMNAFPR2F10ALDH1A1
SCHEMBL3451349 0.83 CCR1 (0.49) 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 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 2570/4885PPID 3456/4885GAA 4747/4885

“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.