SCHEMBL3449388

SCHEMBL3449388

COC(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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CCR1 P32246 3/20 0.33
FPR2 P25090 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
CNR1 P21554 3/20 0.32
LMNA P02545 2/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
F10 P00742 2/20 0.32
EPHX2 P34913 2/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR6 P50406 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
FPR1 P21462 1/20 0.31
EP300 Q09472 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
SCHEMBL3450307 0.92 CCR1 (0.38) ALDH1A1CCR1FPR2MAPTSMN1; SMN2
SCHEMBL3449911 0.92 CCR1 (0.38) ALDH1A1CCR1FPR2MAPTSMN1; SMN2
SCHEMBL3451965 0.91 EPHX2 (0.34) ALDH1A1CCR1FPR2MAPTSMN1; SMN2
SCHEMBL3450060 0.91 ALDH1A1 (0.33) ALDH1A1CCR1FPR2MAPTSMN1; SMN2
SCHEMBL3452171 0.91 CCR1 (0.35) ALDH1A1CCR1FPR2MAPTSMN1; SMN2
SCHEMBL3449894 0.90 ALDH1A1 (0.34) ALDH1A1CCR1FPR2MAPTSMN1; SMN2
SCHEMBL3450736 0.89 CCR1 (0.33) ALDH1A1CCR1FPR2MAPTSMN1; SMN2
SCHEMBL3449697 0.88 CCR1 (0.33) ALDH1A1CCR1FPR2MAPTSMN1; SMN2
SCHEMBL3448853 0.88 CCR1 (0.33) ALDH1A1CCR1FPR2MAPTSMN1; SMN2
SCHEMBL3448226 0.87 EPHX2 (0.35) ALDH1A1CCR1FPR2MAPTCNR1

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 6 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 claimed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US claimed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP claimed
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 3712/4885CCR1 2570/4885FPR2 417/4885

“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.