SCHEMBL3448772

SCHEMBL3448772

Cc1ncc2n1C(=O)N(N1CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Nc3ccc(Cl)cc3)CC1)C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.49
F10 P00742 1/20 0.46
F11 P03951 1/20 0.44
MMP1 P03956 6/20 0.43
MMP3 P08254 6/20 0.43
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.39
UGCG Q16739 1/20 0.39

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
SCHEMBL3450519 1.00 FPR2 (0.49) FPR2F10F11MMP1MMP3
SCHEMBL3451657 0.93 F10 (0.45) FPR2F10F11CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL3451958 0.91 F10 (0.42) FPR2F10F11MMP1MMP3
SCHEMBL6015135 0.88 ALDH1A1 (0.46) F10MMP1MMP3ALDH1A1
SCHEMBL3450125 0.87 F10 (0.47) F10F11CHRM2CHRM1CHRM3
SCHEMBL13108401 0.87 F10 (0.46) FPR2F10F11CHRM2CHRM1
SCHEMBL3449172 0.87 F10 (0.46) FPR2F10F11CHRM2CHRM1
SCHEMBL3449849 0.86 F10 (0.46) FPR2F10ALDH1A1
SCHEMBL3449335 0.86 F10 (0.46) FPR2F10ALDH1A1
SCHEMBL3448801 0.86 F10 (0.51) FPR2F10F11CHRM2CHRM1

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 7 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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
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
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 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 FPR2 417/4885F10 22/4885F11 53/4885

“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.