SCHEMBL4863778

SCHEMBL4863778

Cc1cc(NC(=O)NCCN2CCC(Cc3ccccc3)CC2)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.71
SLC6A2 P23975 4/20 0.71
SLC6A4 P31645 3/20 0.71
HTR2A P28223 2/20 0.71
ADRA2A P08913 1/20 0.71
DRD2 P14416 1/20 0.71
HTR2C P28335 1/20 0.71
TMEM97 Q5BJF2 1/20 0.71
SIGMAR1 Q99720 1/20 0.71
CCR3 P51677 6/20 0.58
SLC6A3 Q01959 1/20 0.53
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
GALR3 O60755 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
SCHEMBL6198254 0.95 UTS2R (0.65) UTS2RSLC6A2SLC6A4HTR2AADRA2A
SCHEMBL4859160 0.94 UTS2R (0.66) UTS2RSLC6A2SLC6A4HTR2AADRA2A
SCHEMBL4858754 0.94 HTR2A (0.63) UTS2RSLC6A2SLC6A4HTR2AADRA2A
SCHEMBL6195979 0.93 UTS2R (0.63) UTS2RSLC6A2SLC6A4HTR2AADRA2A
SCHEMBL6197528 0.92 HTR2A (0.61) UTS2RSLC6A2SLC6A4HTR2AADRA2A
SCHEMBL28753627 0.92 UTS2R (0.68) UTS2RSLC6A2SLC6A4HTR2AADRA2A
SCHEMBL4858422 0.91 UTS2R (0.64) UTS2RSLC6A2SLC6A4HTR2AADRA2A
SCHEMBL4832381 0.91 CCR3 (0.60) UTS2RSLC6A2SLC6A4HTR2AADRA2A
SCHEMBL4862060 0.88 UTS2R (0.68) UTS2RSLC6A2SLC6A4HTR2AADRA2A
SCHEMBL4857066 0.88 UTS2R (0.68) UTS2RSLC6A2SLC6A4HTR2AADRA2A

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 UTS2R 1/4885SLC6A2 883/4885SLC6A4 926/4885

“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.