SCHEMBL3450140

SCHEMBL3450140

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.39
CNR2 P34972 4/20 0.34
TP53 P04637 2/20 0.34
VNN1 O95497 4/20 0.32
LMNA P02545 2/20 0.31
PDE4A P27815 1/20 0.31
BMPR1A P36894 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL3449776 0.85 CCR1 (0.42) CCR1LMNA
SCHEMBL3450233 0.84 TP53 (0.34) TP53
SCHEMBL14541259 0.82 LMNA (0.38) CCR1TP53LMNA
SCHEMBL947679 0.80 TP53 (0.53) TP53
SCHEMBL3447811 0.77 CCR1 (0.39) CCR1CNR2TP53VNN1LMNA
SCHEMBL6014992 0.76 CCR1 (0.42) CCR1CNR2TP53VNN1
SCHEMBL6014963 0.73 F10 (0.51) CCR1CNR2VNN1
SCHEMBL3449437 0.72 CCR1 (0.38) CCR1CNR2VNN1
SCHEMBL6015018 0.72 CCR1 (0.41) CCR1CNR2TP53VNN1
SCHEMBL6015101 0.72 CCR1 (0.42) CCR1CNR2

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 3 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-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 2570/4885CNR2 149/4885TP53 2996/4885

“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.