SCHEMBL3449776

SCHEMBL3449776

Cc1ncn2c1C(=O)N(C1CCN(C(=O)[C@H](NC(=O)Nc3ccc(Cl)cc3)C(C)(C)C)CC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 10)

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
UTS2R Q9UKP6 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 2/20 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
SCHEMBL14541259 0.89 LMNA (0.38) CCR1LMNAEPHX2FPR2
SCHEMBL3450140 0.85 CCR1 (0.39) CCR1LMNA
SCHEMBL3450309 0.81 CCR1 (0.42) CCR1NR3C1LMNAEPHX2RAB9A
SCHEMBL3449981 0.81 CCR1 (0.48) CCR1EPHX2UTS2RRAB9ACYP3A4
SCHEMBL3450191 0.78 F10 (0.54) CCR1NR3C1EPHX2RAB9A
SCHEMBL3448458 0.78 CCR1 (0.47) CCR1LMNAEPHX2UTS2RRAB9A
SCHEMBL3450101 0.77 CCR1 (0.48) CCR1EPHX2UTS2RRAB9ACYP3A4
SCHEMBL3447440 0.77 CCR1 (0.48) CCR1EPHX2UTS2RRAB9AFPR2
SCHEMBL3450686 0.77 F10 (0.49) CCR1NR3C1EPHX2RAB9ACYP3A4
SCHEMBL13108480 0.77 CCR1 (0.52) CCR1LMNAEPHX2RAB9ACYP3A4

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.