SCHEMBL6079692

SCHEMBL6079692

Cc1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.59
TSHR P16473 1/20 0.54
DCUN1D1 Q96GG9 1/20 0.53
DRD2 P14416 5/20 0.53
DRD4 P21917 5/20 0.53
DRD3 P35462 3/20 0.53
GALR3 O60755 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ADRA2A P08913 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
SLC6A4 P31645 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
UTS2R Q9UKP6 1/20 0.52

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
SCHEMBL6078746 1.00 SIGMAR1 (0.59) SIGMAR1TSHRDCUN1D1DRD2DRD4
SCHEMBL6078750 1.00 SIGMAR1 (0.59) SIGMAR1TSHRDCUN1D1DRD2DRD4
SCHEMBL6080389 0.94 MCHR1 (0.54) SIGMAR1TSHRDCUN1D1DRD2DRD4
SCHEMBL6079258 0.93 DRD2 (0.54) SIGMAR1TSHRDCUN1D1DRD2DRD4
SCHEMBL6080229 0.92 CCR3 (0.59) SIGMAR1CCR3MCHR1
SCHEMBL6080158 0.91 CXCR3 (0.54) SIGMAR1TSHRDRD2DRD4DRD3
SCHEMBL6078429 0.90 SIGMAR1 (0.52) SIGMAR1TSHRDCUN1D1DRD2DRD4
SCHEMBL4832005 0.89 DCUN1D1 (0.58) SIGMAR1DCUN1D1DRD2DRD4DRD3
SCHEMBL6080607 0.89 CXCR3 (0.55) SIGMAR1TSHRDRD2DRD4GALR3
SCHEMBL6080004 0.89 SIGMAR1 (0.53) SIGMAR1DRD2DRD4DRD3GALR3

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 SIGMAR1 162/4885TSHR 1552/4885DCUN1D1 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.