SCHEMBL3450686

SCHEMBL3450686

Cc1nc(C)n2c1CN(C1CCN(C(=O)[C@H](NC(=O)Nc3ccc(Cl)cc3)C(C)(C)C)CC1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.49
CCR1 P32246 4/20 0.43
F2 P00734 2/20 0.40
EPHX2 P34913 2/20 0.37
RAB9A P51151 1/20 0.37
FPR2 P25090 1/20 0.36
NR3C1 P04150 1/20 0.36
XIAP P98170 2/20 0.36
BIRC2 Q13490 2/20 0.36
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL13123188 0.91 F10 (0.42) F10CCR1F2EPHX2FPR2
SCHEMBL14541581 0.89 F10 (0.42) F10CCR1F2EPHX2FPR2
SCHEMBL3448667 0.88 CCR1 (0.41) F10CCR1F2EPHX2FPR2
SCHEMBL3450470 0.86 CCR1 (0.37) F10CCR1RAB9AFPR2
SCHEMBL3450191 0.85 F10 (0.54) F10CCR1F2EPHX2RAB9A
SCHEMBL3449282 0.83 CNR1 (0.38) F10CCR1EPHX2NR3C1
SCHEMBL3452128 0.83 F10 (0.45) F10CCR1F2
SCHEMBL3449262 0.82 CCR1 (0.42) F10CCR1F2EPHX2RAB9A
SCHEMBL3450647 0.82 F10 (0.52) F10CCR1F2EPHX2RAB9A
SCHEMBL3450333 0.81 F10 (0.49) F10CCR1F2EPHX2RAB9A

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 5 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-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 F10 22/4885CCR1 2570/4885F2 1/4885

“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.