SCHEMBL3449282

SCHEMBL3449282

Cc1nc(C)n2c1CN(CCN1CCN(C(=O)[C@H](NC(=O)Nc3ccc(Cl)cc3)C(C)(C)C)CC1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.38
TP53 P04637 4/20 0.37
MAPT P10636 3/20 0.37
CCR1 P32246 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
F10 P00742 1/20 0.36
POLB P06746 1/20 0.35
NR3C1 P04150 4/20 0.35
EPHX2 P34913 1/20 0.35
HRH3 Q9Y5N1 2/20 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
SCHEMBL3448667 0.90 CCR1 (0.41) TP53MAPTCCR1F10NR3C1
SCHEMBL3450071 0.86 F10 (0.41) CNR1TP53MAPTCCR1F10
SCHEMBL3450470 0.85 CCR1 (0.37) CNR1CCR1SMN1; SMN2F10POLB
SCHEMBL6015124 0.84 POLB (0.32) CCR1F10POLB
SCHEMBL3450686 0.83 F10 (0.49) CCR1F10NR3C1EPHX2
SCHEMBL13123325 0.77 CNR1 (0.32) CNR1SMN1; SMN2POLBEPHX2
SCHEMBL14541260 0.76 FPR2 (0.32) SMN1; SMN2F10POLB
SCHEMBL3448490 0.76 F10 (0.46) CCR1F10NR3C1EPHX2
SCHEMBL3450072 0.75 CNR1 (0.39) CNR1TP53MAPTCCR1SMN1; SMN2
SCHEMBL13123188 0.75 F10 (0.42) CNR1CCR1F10EPHX2

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 7 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
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 CNR1 264/4885TP53 2996/4885MAPT 4264/4885

“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.