SCHEMBL4853400

SCHEMBL4853400

Cc1cc(NC(=O)NCCCl)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
GALR3 O60755 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
UTS2R Q9UKP6 2/20 0.58
ADRA2A P08913 1/20 0.58
DRD2 P14416 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
SLC6A4 P31645 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
IGF1R P08069 3/20 0.57
OPRK1 P41145 1/20 0.54
CYP2C19 P33261 1/20 0.53
NCF1 P14598 2/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL4859824 0.93 HTT (0.57) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL4855474 0.85 HTT (0.75) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL14181484 0.84 HTT (0.63) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL4872495 0.84 HTT (0.73) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL4851826 0.81 IGF1R (0.60) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL4861140 0.80 UTS2R (0.72) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL6586520 0.80 IGF1R (0.79) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL4861153 0.79 UTS2R (0.71) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL4861122 0.79 HTT (0.60) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL5732738 0.79 UTS2R (0.70) HTTMEN1KMT2AGALR3RAB9A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20070010516-A1 Novel piperidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-01-11 US disclosed
US-20070010516-A1 Novel piperidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-01-11 US disclosed
US-20070010516-A1 Novel piperidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-01-11 US disclosed
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-09-21 US disclosed
CN-1784395-A Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-06-07 CN disclosed
CN-1784394-A Novel piperidine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-06-07 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
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 EP disclosed
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives VELKER JORG (DE) 2004-12-02 US disclosed
WO-2004099179-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-18 WO disclosed
WO-2004099180-A1 NOVEL PIPERIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-18 WO disclosed
US-6815451-B2 1,2,3,4-Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-11-09 US disclosed
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-06-10 US disclosed
EP-1379523-A1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2004-01-14 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
WO-2002076979-A1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-10-03 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 (5 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-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives ADRA2C, ADRA1D, ADRB3 HTT 684/4885MEN1 396/4885KMT2A 2565/4885
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR HTT 681/4885MEN1 2285/4885KMT2A 2523/4885
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ADRA2C, UTS2R, ADRB2 HTT 502/4885MEN1 1785/4885KMT2A 2377/4885
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists UTS2R, NTSR2, NTSR1 HTT 882/4885MEN1 946/4885KMT2A 2540/4885
US-20070010516-A1 Novel piperidine derivatives UTS2R, VIPR2, NTSR2 HTT 1488/4885MEN1 2697/4885KMT2A 2999/4885

“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.