SCHEMBL3452485

SCHEMBL3452485

CN1C=C2C(=O)N(C3CCN(C(=O)C(NC(=O)Nc4ccc(S(C)(=O)=O)cc4)c4ccccc4)CC3)CN2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
F10 P00742 4/20 0.35
EPHX2 P34913 1/20 0.35
CCR5 P51681 4/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
OGT O15294 2/20 0.34
RAB9A P51151 1/20 0.34
PTGS2 P35354 1/20 0.34
CCR1 P32246 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR2 P25090 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
SCHEMBL3447659 0.92 CCR1 (0.39) F10EPHX2RAB9ACCR1ALDH1A1
SCHEMBL3449332 0.90 CCR3 (0.38) FAAHF10EPHX2CCR5CCR1
SCHEMBL3449677 0.90 CCR1 (0.44) F10EPHX2RAB9ACCR1FPR2
SCHEMBL3447685 0.90 FPR2 (0.45) F10EPHX2MEN1KMT2AFPR2
SCHEMBL3452013 0.90 F10 (0.38) F10EPHX2CCR5CCR1ALDH1A1
SCHEMBL3450668 0.90 CCR1 (0.44) F10EPHX2RAB9ACCR1FPR2
SCHEMBL3451848 0.90 CCR1 (0.44) F10EPHX2RAB9ACCR1FPR2
SCHEMBL3447787 0.88 F10 (0.34) F10EPHX2CA1CA2OGT
SCHEMBL3451846 0.88 EPHX2 (0.44) EPHX2
SCHEMBL3449248 0.88 FPR2 (0.43) F10RAB9ACCR1MEN1KMT2A

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 FAAH 2986/4885MGLL 4760/4885F10 22/4885

“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.