SCHEMBL3450993

SCHEMBL3450993

CC(CC(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1)NC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.45
CCR1 P32246 2/20 0.38
PTPN1 P18031 1/20 0.37
RAB9A P51151 2/20 0.37
FPR2 P25090 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CCKBR P32239 1/20 0.35
ALOX5 P09917 1/20 0.35
CCR3 P51677 1/20 0.35
CALCRL Q16602 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
SCHEMBL3449256 0.89 EPHX2 (0.41) EPHX2CCR1LMNAHTT
SCHEMBL3450156 0.88 CCR1 (0.45) EPHX2CCR1RAB9A
SCHEMBL3449558 0.87 EPHX2 (0.47) EPHX2RAB9ANPC1LMNAHTT
SCHEMBL3449084 0.86 CCR1 (0.54) CCR1
SCHEMBL3449233 0.86 CCR1 (0.54) CCR1
SCHEMBL3452313 0.86 CCR1 (0.44) EPHX2CCR1FPR2CCKBRCCR3
SCHEMBL3450219 0.85 CCR1 (0.42) EPHX2CCR1FPR2CCKBR
SCHEMBL3448784 0.85 EPHX2 (0.46) EPHX2RAB9ANPC1LMNA
SCHEMBL3450194 0.85 CCR1 (0.44) EPHX2CCR1RAB9AFPR2
SCHEMBL3450096 0.85 CCR1 (0.41) EPHX2CCR1RAB9AFPR2NPC1

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 EPHX2 607/4885CCR1 2570/4885PTPN1 1509/4885

“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.