SCHEMBL3449174

SCHEMBL3449174

COC(=O)CC(NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCN(N2CN3CN(C)C=C3C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
F10 P00742 3/20 0.37
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 2/20 0.36
FPR2 P25090 4/20 0.35
CCKBR P32239 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F11 P03951 1/20 0.34
CCR1 P32246 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
MAPK1 P28482 1/20 0.33

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 0.91 ALDH1A1 (0.40) ALDH1A1F10CHRM2CHRM1CHRM3
SCHEMBL3452279 0.88 F10 (0.38) ALDH1A1F10CHRM2CHRM1CHRM3
SCHEMBL3448775 0.86 FPR2 (0.50) ALDH1A1CHRM2CHRM1CHRM3FPR2
SCHEMBL3450523 0.86 FPR2 (0.50) ALDH1A1CHRM2CHRM1CHRM3FPR2
SCHEMBL3449576 0.86 CCR1 (0.41) ALDH1A1F10FPR2CCKBRLMNA
SCHEMBL3451660 0.85 CHRM2 (0.41) ALDH1A1CHRM2CHRM1CHRM3FPR2
SCHEMBL3450204 0.84 CCR1 (0.40) ALDH1A1F10FPR2CCKBRLMNA
SCHEMBL3451349 0.84 CCR1 (0.49) CCR1
SCHEMBL3449388 0.84 ALDH1A1 (0.34) ALDH1A1F10FPR2LMNASMN1; SMN2
SCHEMBL3449004 0.83 CCR1 (0.41) ALDH1A1F10FPR2CCR1EPHX2

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 ALDH1A1 3712/4885F10 22/4885CHRM2 855/4885

“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.