SCHEMBL3449883

SCHEMBL3449883

CN1C=C2C(=O)N(C3CCN(C(=O)C(C)(Cc4ccccc4)NC(=O)Nc4ccc(Cl)cc4)CC3)CN2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
CNR1 P21554 1/20 0.35
FPR2 P25090 5/20 0.35
FPR1 P21462 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
CCR1 P32246 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL3451771 0.83 TP53 (0.37) KDM4ETP53SIGMAR1
SCHEMBL3449020 0.81 FPR2 (0.49) FPR2CCR1
SCHEMBL3448805 0.81 FPR2 (0.49) FPR2CCR1
SCHEMBL3449290 0.81 FPR2 (0.49) FPR2CCR1
SCHEMBL3449171 0.79 CHRM1 (0.33) MAPTLMNATP53SMN1; SMN2
SCHEMBL3450194 0.79 CCR1 (0.44) EPHX2FPR2RAB9ACCR1
SCHEMBL3449558 0.79 EPHX2 (0.47) EPHX2CNR1MAPTLMNANPC1
SCHEMBL3449677 0.78 CCR1 (0.44) EPHX2CNR1FPR2FPR1MAPT
SCHEMBL3450668 0.78 CCR1 (0.44) EPHX2CNR1FPR2FPR1MAPT
SCHEMBL3451848 0.78 CCR1 (0.44) EPHX2CNR1FPR2FPR1MAPT

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 607/4885CNR1 264/4885FPR2 417/4885

“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.