SCHEMBL3451965

SCHEMBL3451965

CCOC(C)(C)C(NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCN(N2CN3CN(C)C=C3C2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.34
F10 P00742 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
P2RY12 Q9H244 1/20 0.32
CCR1 P32246 1/20 0.32
FPR2 P25090 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
CNR1 P21554 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCKBR P32239 1/20 0.32

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) EPHX2F10ALDH1A1MAPTCCR1
SCHEMBL3450307 0.89 CCR1 (0.38) EPHX2F10ALDH1A1MAPTCCR1
SCHEMBL3449911 0.89 CCR1 (0.38) EPHX2F10ALDH1A1MAPTCCR1
SCHEMBL3450060 0.89 ALDH1A1 (0.33) EPHX2F10ALDH1A1MAPTCCR1
SCHEMBL3452171 0.89 CCR1 (0.35) EPHX2F10ALDH1A1MAPTCCR1
SCHEMBL3448226 0.88 EPHX2 (0.35) EPHX2F10ALDH1A1MAPTCHRM2
SCHEMBL3449894 0.88 ALDH1A1 (0.34) EPHX2F10ALDH1A1MAPTCHRM2
SCHEMBL3450736 0.86 CCR1 (0.33) EPHX2F10ALDH1A1MAPTCCR1
SCHEMBL3447614 0.86 EPHX2 (0.38) EPHX2ALDH1A1MAPTCHRM2CHRM1
SCHEMBL3449697 0.86 CCR1 (0.33) EPHX2F10ALDH1A1MAPTCCR1

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 EPHX2 607/4885F10 22/4885ALDH1A1 3712/4885

“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.