SCHEMBL4858754

SCHEMBL4858754

Cc1cc(NC(=O)NCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.63
UTS2R Q9UKP6 2/20 0.63
ADRA2A P08913 1/20 0.63
DRD2 P14416 1/20 0.63
SLC6A2 P23975 1/20 0.63
HTR2C P28335 1/20 0.63
SLC6A4 P31645 1/20 0.63
TMEM97 Q5BJF2 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
CCR3 P51677 16/20 0.60

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
SCHEMBL4863778 0.94 UTS2R (0.71) HTR2AUTS2RADRA2ADRD2SLC6A2
SCHEMBL6198254 0.93 UTS2R (0.65) HTR2AUTS2RADRA2ADRD2SLC6A2
SCHEMBL27594112 0.92 UTS2R (0.61) HTR2AUTS2RADRA2ADRD2SLC6A2
SCHEMBL6197528 0.90 HTR2A (0.61) HTR2AUTS2RADRA2ADRD2SLC6A2
SCHEMBL6198255 0.88 UTS2R (0.62) HTR2AUTS2RADRA2ADRD2SLC6A2
SCHEMBL6197967 0.88 SIGMAR1 (0.60) HTR2AUTS2RADRA2ADRD2SLC6A2
SCHEMBL4859160 0.88 UTS2R (0.66) HTR2AUTS2RADRA2ADRD2SLC6A2
SCHEMBL6195979 0.87 UTS2R (0.63) HTR2AUTS2RADRA2ADRD2SLC6A2
SCHEMBL4858422 0.86 UTS2R (0.64) HTR2AUTS2RADRA2ADRD2SLC6A2
SCHEMBL6199812 0.86 UTS2R (0.59) HTR2AUTS2RADRA2ADRD2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US claimed
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP claimed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US claimed
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 EP claimed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 WO claimed
CN-100424082-C 4- (piperidinyl-pyrrolidinyl-alkyl-ureido) -quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-10-08 CN 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
CN-1617869-A 4-(piperidyl- and pyrrolidyl-alkyl-ureido) -quinolines as urotensin ii receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-05-18 CN 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

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 HTR2A 61/4885UTS2R 1/4885ADRA2A 58/4885

“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.