SCHEMBL4605023

SCHEMBL4605023

CN(CCCCNC(=O)Nc1cc(C(=O)N(C)C)cc(C(=O)N(C)C)c1)Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.57
ACKR3 P25106 4/20 0.51
TMEM97 Q5BJF2 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
CHEK1 O14757 1/20 0.46
DAPK3 O43293 1/20 0.46
ROCK2 O75116 1/20 0.46
CHEK2 O96017 1/20 0.46
PRKCG P05129 1/20 0.46
CDK1 P06493 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
RPS6KA3 P51812 1/20 0.46
NEK2 P51955 1/20 0.46
LIMK1 P53667 1/20 0.46
CDK5 Q00535 1/20 0.46

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
SCHEMBL4604725 0.86 CHEK1 (0.45) CCR3TMEM97SIGMAR1CHEK1DAPK3
SCHEMBL4607403 0.84 CCR3 (0.55) CCR3CYP2D6
SCHEMBL4605025 0.84 KMT2A (0.50) CCR3SLC6A3SLC6A2SLC6A4KMT2A
SCHEMBL4900572 0.83 CCR3 (0.62) CCR3ACKR3TMEM97SIGMAR1SLC6A3
SCHEMBL4607225 0.77 CCR3 (0.62) CCR3ACKR3TMEM97SIGMAR1CHEK1
SCHEMBL4604374 0.76 CCR3 (0.50) CCR3ACKR3TMEM97SIGMAR1KMT2A
SCHEMBL4603538 0.76 CCR3 (0.60) CCR3CYP2D6
SCHEMBL4607838 0.76 CCR3 (0.55) CCR3CYP2D6
SCHEMBL27719387 0.75 TMEM97 (0.60) CCR3ACKR3TMEM97SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL4605165 0.75 CCR3 (0.55) 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 6 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
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
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
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 CCR3 1/4885ACKR3 13/4885TMEM97 1167/4885

“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.