SCHEMBL6079351

SCHEMBL6079351

CCCc1cc(NC(=O)N[C@H]2CCN(CC(c3ccccc3)c3ccccc3)C2)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.44
CCR3 P51677 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.43
KMT2A Q03164 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
EPHX2 P34913 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6079357 1.00 CXCR3 (0.44) CXCR3CCR3DCUN1D1KMT2ADRD2
SCHEMBL6079223 0.94 CXCR3 (0.46) CXCR3CCR3DCUN1D1KMT2ADRD2
SCHEMBL6079231 0.94 CXCR3 (0.46) CXCR3CCR3DCUN1D1KMT2ADRD2
SCHEMBL6079504 0.93 CCR3 (0.45) CXCR3CCR3DCUN1D1KMT2ADRD2
SCHEMBL6079514 0.93 CCR3 (0.45) CXCR3CCR3DCUN1D1KMT2ADRD2
SCHEMBL6079687 0.92 CXCR3 (0.50) CXCR3CCR3DCUN1D1KMT2ADRD2
SCHEMBL6079676 0.92 CXCR3 (0.50) CXCR3CCR3DCUN1D1KMT2ADRD2
SCHEMBL6079793 0.91 CCR3 (0.49) CXCR3CCR3DCUN1D1KMT2ADRD2
SCHEMBL6079782 0.91 CCR3 (0.49) CXCR3CCR3DCUN1D1KMT2ADRD2
SCHEMBL6078760 0.88 CCR3 (0.52) CXCR3CCR3KMT2AALDH1A1

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-20060094716-A1 1-Pyridin-4-yl-urea derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-05-04 US claimed
EP-1554249-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP claimed
WO-2004026836-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-04-01 WO claimed
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-05-04 US disclosed
EP-1554249-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
WO-2004026836-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-04-01 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-20060094716-A1 1-Pyridin-4-yl-urea derivatives P2RY4, P2RX4, REN CXCR3 3447/4885CCR3 3917/4885DCUN1D1 2861/4885

“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.