SCHEMBL3448985

SCHEMBL3448985

CN1C=C2C(=O)N(N3CCN(C(=O)C(NC(=O)OC(C)(C)C)C4CCCC4)CC3)CN2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.36
HRH2 P25021 3/20 0.35
HRH1 P35367 3/20 0.35
CTSL P07711 1/20 0.33
KMT2A Q03164 3/20 0.32
EPHX1 P07099 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 2/20 0.31
ENPP2 Q13822 1/20 0.31
CHRM3 P20309 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL3448661 0.96 AAK1 (0.36) AAK1HRH2HRH1CTSLKMT2A
SCHEMBL6015066 0.86 CHRM3 (0.37) CTSLTP53ENPP2CHRM3
SCHEMBL3448869 0.86 HRH2 (0.33) HRH2HRH1KMT2AMEN1MAPK1
SCHEMBL3448453 0.85 HRH2 (0.33) HRH2HRH1KMT2AMEN1MAPK1
SCHEMBL3447727 0.83 MAPK1 (0.33) HRH2HRH1KMT2AMEN1MAPK1
SCHEMBL3448916 0.83 MAPK1 (0.34) HRH2HRH1KMT2AMEN1MAPK1
SCHEMBL3447874 0.83 HRH2 (0.38) HRH2HRH1CTSLKMT2AMEN1
SCHEMBL3449161 0.82 MC4R (0.35) HRH2HRH1KMT2AMEN1MAPK1
SCHEMBL3449806 0.82 HRH2 (0.37) HRH2HRH1KMT2AMEN1MAPK1
SCHEMBL3448474 0.81 CALCRL (0.37) AAK1HRH2HRH1CTSLKMT2A

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 AAK1 4428/4885HRH2 66/4885HRH1 172/4885

“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.