SCHEMBL6079688

SCHEMBL6079688

CCc1cc(NC(=O)NC2CCN(C(Cc3ccccc3)Cc3ccccc3)C2)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
KMT2A Q03164 1/20 0.42
USP30 Q70CQ3 2/20 0.42
EPHX2 P34913 2/20 0.41
CXCR3 P49682 2/20 0.41
AKT1 P31749 1/20 0.41
CCR3 P51677 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6079624 1.00 ALDH1A1 (0.45) ALDH1A1DCUN1D1DRD2DRD4DRD3
SCHEMBL6078768 0.93 ALDH1A1 (0.44) ALDH1A1DCUN1D1DRD2DRD4DRD3
SCHEMBL6078777 0.93 ALDH1A1 (0.44) ALDH1A1DCUN1D1DRD2DRD4DRD3
SCHEMBL6080265 0.93 ALDH1A1 (0.50) ALDH1A1DCUN1D1DRD2DRD4DRD3
SCHEMBL6079572 0.93 ALDH1A1 (0.50) ALDH1A1DCUN1D1DRD2DRD4DRD3
SCHEMBL6079559 0.93 ALDH1A1 (0.50) ALDH1A1DCUN1D1DRD2DRD4DRD3
SCHEMBL6079514 0.81 CCR3 (0.45) ALDH1A1DCUN1D1DRD2DRD4DRD3
SCHEMBL6079504 0.81 CCR3 (0.45) ALDH1A1DCUN1D1DRD2DRD4DRD3
SCHEMBL6079817 0.81 HTT (0.50) ALDH1A1DRD2KMT2AHTTSMN1; SMN2
SCHEMBL6080227 0.81 HTT (0.50) ALDH1A1DRD2KMT2AHTTSMN1; SMN2

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 ALDH1A1 1814/4885DCUN1D1 2861/4885DRD2 243/4885

“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.