SCHEMBL3450754

SCHEMBL3450754

CN1C=C2C(=O)N(N3CCN(C(=O)C(CNC(=O)Nc4ccc(Cl)cc4)c4ccccc4)CC3)CN2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR3 P51677 3/20 0.38
CNR1 P21554 4/20 0.37
EP300 Q09472 1/20 0.36
GAA P10253 1/20 0.35
KCNQ2 O43526 2/20 0.35
CCR1 P32246 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FPR2 P25090 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
SCHEMBL3449339 0.87 CCR1 (0.40) CASRLMNATSHRMAPK1RECQL
SCHEMBL3449851 0.87 CCR1 (0.40) CASRLMNATSHRMAPK1RECQL
SCHEMBL3450523 0.83 FPR2 (0.50) FPR2
SCHEMBL3448775 0.83 FPR2 (0.50) FPR2
SCHEMBL3449435 0.83 UTS2R (0.40) CASRLMNACNR1EP300MAPT
SCHEMBL3449644 0.83 CHRM1 (0.36) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL3450204 0.81 CCR1 (0.40) LMNACNR1CCR1NPC1RAB9A
SCHEMBL3451349 0.80 CCR1 (0.49) CCR1
SCHEMBL3449004 0.80 CCR1 (0.41) MAPK1CCR1FPR2
SCHEMBL3449911 0.80 CCR1 (0.38) CNR1CCR1TP53MAPTSMN1; SMN2

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 CASR 3786/4885LMNA 3232/4885TSHR 1298/4885

“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.