SCHEMBL3449644

SCHEMBL3449644

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
MAPK1 P28482 2/20 0.36
BCHE P06276 2/20 0.35
KLK7 P49862 3/20 0.35
UTS2R Q9UKP6 2/20 0.35
EP300 Q09472 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3449851 0.84 CCR1 (0.40) MAPK1EP300ALDH1A1MAPTLMNA
SCHEMBL3449339 0.84 CCR1 (0.40) MAPK1EP300ALDH1A1MAPTLMNA
SCHEMBL3450754 0.83 CASR (0.40) MAPK1EP300RAB9AMAPTLMNA
SCHEMBL3448775 0.79 FPR2 (0.50) CHRM1ALDH1A1
SCHEMBL3449435 0.79 UTS2R (0.40) UTS2REP300ALDH1A1MAPTLMNA
SCHEMBL3450523 0.79 FPR2 (0.50) CHRM1ALDH1A1
SCHEMBL3451349 0.78 CCR1 (0.49)
SCHEMBL3451876 0.77 CCR1 (0.39) CHRM1RAB9AALDH1A1NPC1
SCHEMBL3449911 0.77 CCR1 (0.38) UTS2RALDH1A1MAPT
SCHEMBL3450307 0.77 CCR1 (0.38) UTS2RALDH1A1MAPT

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 CHRM1 898/4885MAPK1 1241/4885BCHE 2758/4885

“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.