SCHEMBL5776558

SCHEMBL5776558

N#CCCN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.45
OPRM1 P35372 2/20 0.45
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
MGLL Q99685 1/20 0.43
POLB P06746 1/20 0.41
HRH2 P25021 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 1/20 0.40
OPRD1 P41143 1/20 0.39
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KCNA5 P22460 1/20 0.38

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
SCHEMBL13327274 0.84 POLB (0.52) MGLLPOLBKMT2AFABP7FABP5
SCHEMBL22397770 0.84 POLB (0.52) MGLLPOLBKMT2AFABP7FABP5
SCHEMBL15160678 0.84 KMT2A (0.48) HRH1OPRM1HTR1ADRD4HTR2A
SCHEMBL4717949 0.82 KMT2A (0.46) HRH1OPRM1HTR1ADRD4HTR2A
Water SCHEMBL4955373 0.81 KDM4E (0.45) HRH1OPRM1HTR1ADRD4HTR2A
SCHEMBL25330425 0.81 POLB (0.50) POLBKMT2AFABP7FABP5ALDH1A1
SCHEMBL31505489 0.80 KDM4E (0.46) POLBKMT2AFABP7FABP5ALDH1A1
SCHEMBL31398326 0.80 KDM4E (0.46) POLBKMT2AFABP7FABP5ALDH1A1
SCHEMBL119822 0.80 KDM4E (0.46) POLBKMT2AFABP7FABP5ALDH1A1
SCHEMBL30481198 0.80 KDM4E (0.46) POLBKMT2AFABP7FABP5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP disclosed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 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 (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-20040077655-A1 Piperazine derivatives for treatment of bacterial infections MYD88, THPO, PIGO HRH1 118/4885OPRM1 1059/4885HTR1A 4043/4885

“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.