SCHEMBL4605025

SCHEMBL4605025

CN(C)C(=O)c1cc(NC(=O)NCCCCNCCc2ccc(F)cc2)cc(C(=O)N(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
FPR2 P25090 1/20 0.48
CNR1 P21554 1/20 0.48
CCR3 P51677 8/20 0.48
SLC6A2 P23975 7/20 0.48
SLC6A4 P31645 7/20 0.48
SLC6A3 Q01959 7/20 0.48
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
PRMT3 O60678 1/20 0.44
CYP2D6 P10635 1/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL4607082 0.84 CCR3 (0.55) CCR3CYP2D6
SCHEMBL4605023 0.84 CCR3 (0.57) KMT2ACCR3SLC6A2SLC6A4SLC6A3
SCHEMBL4900580 0.78 CNR1 (0.60) KMT2AFPR2CNR1CCR3SLC6A3
SCHEMBL4604725 0.72 CHEK1 (0.45) KMT2ACNR1CCR3SLC6A3MAPT
SCHEMBL4604479 0.72 SLC6A3 (0.48) KMT2AFPR2CNR1SLC6A3RAB9A
SCHEMBL8122584 0.70 KMT2A (0.57) KMT2AFPR2CNR1RAB9ANPC1
SCHEMBL4604891 0.70 CCR3 (0.69) CCR3CYP2D6
SCHEMBL4881257 0.70 HDAC3 (0.49) KMT2ACCR3RAB9ANPC1MAPT
SCHEMBL4891370 0.70 KMT2A (0.45) KMT2AFPR2CNR1RAB9ANPC1
SCHEMBL4607257 0.69 CCR3 (0.50) KMT2ACCR3PRMT3CYP2D6

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 4826/4885FPR2 45/4885CNR1 115/4885

“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.