SCHEMBL4852016

SCHEMBL4852016

Cc1cc(NC(=O)NCCN2CCC(NC(=O)Nc3ccccc3-c3ccccc3)C2)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.55
DRD2 P14416 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
ADRA2A P08913 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
GAA P10253 1/20 0.47
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HTR7 P34969 3/20 0.45
HTR1A P08908 1/20 0.45
HTR6 P50406 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PDE10A Q9Y233 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4851886 0.95 UTS2R (0.59) UTS2RDRD2SIGMAR1ADRA2ASLC6A2
SCHEMBL6195501 0.91 UTS2R (0.58) UTS2RDRD2SIGMAR1ADRA2ASLC6A2
SCHEMBL6198352 0.89 UTS2R (0.56) UTS2RDRD2SIGMAR1ADRA2ASLC6A2
SCHEMBL6195795 0.89 UTS2R (0.61) UTS2RDRD2SIGMAR1ADRA2ASLC6A2
SCHEMBL6197129 0.88 UTS2R (0.59) UTS2RDRD2SIGMAR1ADRA2ASLC6A2
SCHEMBL6198439 0.88 UTS2R (0.55) UTS2RDRD2SIGMAR1ADRA2ASLC6A2
SCHEMBL4860474 0.88 UTS2R (0.55) UTS2RDRD2SIGMAR1ADRA2ASLC6A2
SCHEMBL6196121 0.88 UTS2R (0.56) UTS2RDRD2SIGMAR1ADRA2ASLC6A2
SCHEMBL6197953 0.87 UTS2R (0.65) UTS2RDRD2SIGMAR1ADRA2ASLC6A2
SCHEMBL6196174 0.87 UTS2R (0.60) UTS2RDRD2SIGMAR1ADRA2ASLC6A2

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 8 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
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

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 1/4885DRD2 358/4885SIGMAR1 317/4885

“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.