SCHEMBL3448366

SCHEMBL3448366

CC(CC(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.41
CCR1 P32246 1/20 0.36
TP53 P04637 1/20 0.34
KMT2A Q03164 6/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
MAPK1 P28482 1/20 0.33
KLK5 Q9Y337 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MEN1 O00255 4/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
FPR2 P25090 1/20 0.31

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
SCHEMBL3449307 0.86 CALCRL (0.43) CALCRLKMT2AMAPK1KLK5ITGB3
SCHEMBL3449433 0.85 MEN1 (0.47) CALCRLTP53KMT2AMEN1ALDH1A1
SCHEMBL3448280 0.84 KMT2A (0.46) CALCRLCCR1KMT2AHRH2HRH1
SCHEMBL3448474 0.83 CALCRL (0.37) CALCRLTP53KMT2AHRH2HRH1
SCHEMBL3448162 0.83 CALCRL (0.37) CALCRLCCR1TP53KMT2AHRH2
SCHEMBL3449067 0.83 SIGMAR1 (0.45) CALCRLTP53KMT2AMEN1ALDH1A1
SCHEMBL3447915 0.83 CALCRL (0.45) CALCRLKMT2AHRH2HRH1MAPK1
SCHEMBL3449005 0.82 KMT2A (0.39) CALCRLTP53KMT2AHRH2HRH1
SCHEMBL3449704 0.82 CALCRL (0.37) CALCRLTP53KMT2AHRH2HRH1
SCHEMBL3449994 0.82 CALCRL (0.36) CALCRLCCR1TP53KMT2AHRH2

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 CALCRL 2629/4885CCR1 2570/4885TP53 2996/4885

“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.