SCHEMBL3451848

SCHEMBL3451848

CN1C=C2C(=O)N(C3CCN(C(=O)[C@H](NC(=O)Nc4ccc(Cl)cc4)c4ccccc4)CC3)CN2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.44
F10 P00742 4/20 0.40
CNR1 P21554 2/20 0.37
EPHX2 P34913 3/20 0.37
EP300 Q09472 2/20 0.36
F2 P00734 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 1/20 0.36
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 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
SCHEMBL3449677 1.00 CCR1 (0.44) CCR1F10CNR1EPHX2EP300
SCHEMBL3450668 1.00 CCR1 (0.44) CCR1F10CNR1EPHX2EP300
SCHEMBL3447659 0.94 CCR1 (0.39) CCR1F10EPHX2F2RAB9A
SCHEMBL3449332 0.93 CCR3 (0.38) CCR1F10EPHX2LMNAFPR2
SCHEMBL3447685 0.92 FPR2 (0.45) F10CNR1EPHX2FPR1FPR2
SCHEMBL3452013 0.92 F10 (0.38) CCR1F10EPHX2F2LMNA
SCHEMBL3448634 0.91 EPHX2 (0.41) CCR1F10EPHX2MAPTNPC1
SCHEMBL3449116 0.90 MEN1 (0.40) EPHX2MAPTLMNARAB9ASMN1; SMN2
SCHEMBL3449248 0.90 FPR2 (0.43) CCR1F10MAPTNPC1RAB9A
SCHEMBL3451846 0.90 EPHX2 (0.44) EPHX2

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 2570/4885F10 22/4885CNR1 264/4885

“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.