SCHEMBL3455074

SCHEMBL3455074

CC(C)(C)[C@@H](NC(=O)O)C(=O)N1CCC(N2CCCS2(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.40
CCR1 P32246 2/20 0.39
PDE7A Q13946 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 2/20 0.34
MCHR1 Q99705 1/20 0.34
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL3455079 0.88 CCR1 (0.39) F10CCR1CYP3A4CYP2C19CNR2
SCHEMBL3454531 0.79 CCR1 (0.48) F10CCR1
SCHEMBL16602550 0.76 CCR1 (0.41) CCR1CNR2
SCHEMBL6015115 0.74 L3MBTL3 (0.43) F10CCR1CYP3A4CYP2C19
SCHEMBL6015105 0.73 VNN1 (0.46) F10CCR1MCHR1
SCHEMBL6015039 0.72 VNN1 (0.47) F10CCR1CYP3A4CYP2C19MCHR1
SCHEMBL6015018 0.72 CCR1 (0.41) CCR1PDE7ACNR2
SCHEMBL6014992 0.71 CCR1 (0.42) CCR1PDE7ACYP3A4CYP2C19CNR2
SCHEMBL6015101 0.71 CCR1 (0.42) F10CCR1PDE7ACYP3A4CYP2C19
SCHEMBL4972191 0.69 CCR1 (0.39) 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 F10 22/4885CCR1 2570/4885PDE7A 4748/4885

“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.