SCHEMBL3450060

SCHEMBL3450060

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 4/20 0.32
GLA P06280 2/20 0.32
TSHR P16473 2/20 0.32
CCR1 P32246 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FPR2 P25090 3/20 0.31
F10 P00742 2/20 0.31
EPHX2 P34913 2/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL3449388 0.91 ALDH1A1 (0.34) ALDH1A1CNR1CNR2MAPTCCR1
SCHEMBL3449911 0.89 CCR1 (0.38) ALDH1A1CNR1CNR2MAPTCCR1
SCHEMBL3450307 0.89 CCR1 (0.38) ALDH1A1CNR1CNR2MAPTCCR1
SCHEMBL3451965 0.89 EPHX2 (0.34) ALDH1A1CNR1MAPTCCR1LMNA
SCHEMBL3452171 0.89 CCR1 (0.35) ALDH1A1CNR1CNR2MAPTGLA
SCHEMBL3450736 0.86 CCR1 (0.33) ALDH1A1CNR1CNR2MAPTCCR1
SCHEMBL3449894 0.86 ALDH1A1 (0.34) ALDH1A1CNR1CNR2MAPTGLA
SCHEMBL3448853 0.86 CCR1 (0.33) ALDH1A1CNR1CNR2MAPTCCR1
SCHEMBL3449697 0.86 CCR1 (0.33) ALDH1A1CNR1CNR2MAPTCCR1
SCHEMBL3448226 0.85 EPHX2 (0.35) ALDH1A1CNR1MAPTGLATSHR

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 ALDH1A1 3712/4885CNR1 264/4885CNR2 149/4885

“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.