SCHEMBL5736554

SCHEMBL5736554

Cc1cc(NC(=O)NCCN2CCN(C(=O)Cc3ccc(Br)cc3)CC2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.62
ADRA2A P08913 1/20 0.62
DRD2 P14416 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
SLC6A4 P31645 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GALR3 O60755 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL5734155 0.94 UTS2R (0.70) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5735499 0.93 UTS2R (0.64) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5956386 0.91 UTS2R (0.62) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5733642 0.91 UTS2R (0.62) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5955939 0.90 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5732929 0.90 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5956406 0.90 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5732916 0.88 UTS2R (0.65) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4862849 0.86 UTS2R (0.60) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5733022 0.85 UTS2R (0.70) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-09-21 US claimed
CN-1784395-A Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-06-07 CN claimed
EP-1631565-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-03-08 EP claimed
WO-2004099179-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-18 WO claimed
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

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-20060211707-A1 Piperazine-alkyl-ureido derivatives ADRA2C, UTS2R, ADRB2 UTS2R 2/4885ADRA2A 7/4885DRD2 52/4885

“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.