SCHEMBL3450309

SCHEMBL3450309

Cc1ncc2n1CCN(C1CCN(C(=O)[C@H](NC(=O)Nc3ccc(Cl)cc3)C(C)(C)C)CC1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.42
NR3C1 P04150 5/20 0.37
LMNA P02545 1/20 0.36
EPHX2 P34913 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
F10 P00742 2/20 0.35
F2 P00734 1/20 0.35
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL14541419 0.89 LMNA (0.38) CCR1LMNAEPHX2MAPTTRPV1
SCHEMBL3447811 0.85 CCR1 (0.39) CCR1LMNAF10F2
SCHEMBL3450191 0.81 F10 (0.54) CCR1NR3C1EPHX2F10F2
SCHEMBL3449776 0.81 CCR1 (0.42) CCR1NR3C1LMNAEPHX2RAB9A
SCHEMBL3449981 0.79 CCR1 (0.48) CCR1EPHX2TRPV1RAB9ACYP3A4
SCHEMBL3450647 0.78 F10 (0.52) CCR1NR3C1EPHX2F10F2
SCHEMBL3448458 0.78 CCR1 (0.47) CCR1LMNAEPHX2TRPV1F10
SCHEMBL3450101 0.77 CCR1 (0.48) CCR1EPHX2F10RAB9ACYP3A4
SCHEMBL3447440 0.77 CCR1 (0.48) CCR1EPHX2TRPV1F10F2
SCHEMBL3450333 0.77 F10 (0.49) CCR1NR3C1EPHX2F10F2

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 disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
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
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 CCR1 2570/4885NR3C1 3855/4885LMNA 3232/4885

“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.