SCHEMBL3450145

SCHEMBL3450145

CN1C=C2C(=O)N(C3CCN(C(=O)[C@@H](CCC(C)(C)C)NC(=O)O)CC3)CN2C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.32
CCR1 P32246 4/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.30
CACNA1B Q00975 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
SCHEMBL3449985 0.95 CCKBR (0.32) CALCRLCCR1
SCHEMBL3449253 0.94 CCKBR (0.31) CCR1
SCHEMBL6015073 0.90 CCR1 (0.40) CCR1TP53
SCHEMBL6015003 0.88 CCKBR (0.40) CCR1
SCHEMBL6015112 0.88 CCR1 (0.38) CCR1TP53
SCHEMBL6015148 0.87 UBE2N (0.41) CCR1TSHRKMT2A
SCHEMBL3447639 0.86 MAPK1 (0.32) CALCRLCCR1TP53KMT2A
SCHEMBL6015029 0.86 CCR1 (0.40) CALCRLCCR1KMT2ACACNA1B
SCHEMBL6014965 0.85 CCR1 (0.39) CCR1TP53
SCHEMBL3449306 0.84 TSHR (0.31) CCR1TSHRKMT2A

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 2 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

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 CALCRL 2629/4885CCR1 2570/4885TP53 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.