SCHEMBL4606327

SCHEMBL4606327

Cn1nnnc1-c1cccc(NC(=O)NCCCCNCCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
CCR3 P51677 15/20 0.57
CYP2D6 P10635 1/20 0.54
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL4606996 0.92 CCR3 (0.68) CCR3CYP2D6
SCHEMBL4605215 0.85 CCR3 (0.60) KMT2AMEN1CCR3CYP2D6
SCHEMBL4872856 0.84 CCR3 (0.55) KMT2AMEN1CCR3CYP2D6
SCHEMBL4738080 0.82 CCR3 (0.56) CCR3CYP2D6
SCHEMBL4604702 0.81 CCR3 (0.64) CCR3CYP2D6
SCHEMBL4872393 0.81 CCR3 (0.55) CCR3CYP2D6
SCHEMBL4604258 0.80 CCR3 (0.64) CCR3CYP2D6
SCHEMBL4880232 0.79 CCR3 (0.65) CCR3CYP2D6
SCHEMBL4604891 0.79 CCR3 (0.69) CCR3CYP2D6
SCHEMBL4605378 0.79 CCR3 (0.60) CCR3CYP2D6

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-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 KMT2A 4826/4885MEN1 4873/4885CCR3 1/4885

“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.