SCHEMBL4863577

SCHEMBL4863577

COC(=O)C1(c2ccccc2)CCN(CCNC(=O)Nc2cc(C)nc3ccccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.69
ADRA2A P08913 1/20 0.69
DRD2 P14416 1/20 0.69
SLC6A2 P23975 1/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
SLC6A4 P31645 1/20 0.69
TMEM97 Q5BJF2 1/20 0.69
SIGMAR1 Q99720 1/20 0.69
ADRA1D P25100 5/20 0.51
ADRA1A P35348 5/20 0.51
ADRA1B P35368 3/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
IGF1R P08069 2/20 0.47
KCNA3 P22001 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 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
SCHEMBL4856822 0.92 UTS2R (0.73) UTS2RADRA2ADRD2SLC6A2HTR2A
Hydrochloric Acid SCHEMBL4860288 0.91 UTS2R (0.71) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4857266 0.89 UTS2R (0.68) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4859837 0.87 UTS2R (0.77) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198670 0.87 UTS2R (0.66) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL14279652 0.86 UTS2R (0.66) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6195171 0.86 UTS2R (0.65) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6197824 0.86 UTS2R (0.78) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6195166 0.85 UTS2R (0.63) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4862199 0.85 UTS2R (0.68) UTS2RADRA2ADRD2SLC6A2HTR2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US disclosed
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 EP disclosed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR UTS2R 1/4885ADRA2A 58/4885DRD2 358/4885

“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.