SCHEMBL5572065

SCHEMBL5572065

CCCCN1CCN(c2ccccn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.69
POLB P06746 1/20 0.69
HTR1A P08908 5/20 0.61
DRD2 P14416 5/20 0.61
HTR2A P28223 5/20 0.61
HTR7 P34969 4/20 0.61
DRD3 P35462 4/20 0.61
DRD4 P21917 3/20 0.61
ADRA2C P18825 3/20 0.61
DRD1 P21728 3/20 0.61
DRD5 P21918 3/20 0.61
HRH1 P35367 3/20 0.61
HRH3 Q9Y5N1 5/20 0.60

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
SCHEMBL27715352 0.94 KCNH2 (0.74) KCNH2POLBHTR1ADRD2HTR2A
SCHEMBL10053231 0.90 KCNH2 (0.64) KCNH2POLBHTR1ADRD2HTR2A
SCHEMBL26108725 0.89 KCNH2 (0.85) KCNH2POLBHTR1ADRD2HTR2A
SCHEMBL26107525 0.89 KCNH2 (0.85) KCNH2POLBHTR1ADRD2HTR2A
SCHEMBL4519313 0.89 KCNH2 (0.85) KCNH2POLBHTR1ADRD2HTR2A
SCHEMBL18301485 0.88 KCNH2 (0.69) KCNH2POLBHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL26108256 0.87 KCNH2 (0.83) KCNH2POLBHTR1ADRD2HTR2A
SCHEMBL13711971 0.87 KCNH2 (0.71) KCNH2POLBHTR1ADRD2HTR2A
SCHEMBL28898801 0.86 KCNH2 (0.59) KCNH2POLBHTR1ADRD2HTR2A
SCHEMBL9310190 0.86 KCNH2 (0.56) KCNH2POLBHTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61167682-A None JP disclosed
EP-1863809-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals TIBOTEC BVBA (BE) 2007-10-11 US disclosed
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals TIBOTEC BVBA (BE) 2007-10-11 US disclosed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
US-4619930-A Antipsychotic cyclic imide derivatives of 2-(4-butylpiperazin-1-yl)pyridines, compositions and use BRISTOL-MYERS COMPANY (US) 1986-10-28 US disclosed
JP-S61167682-A ANTIPSYCHOTIC CYCLIC IMIDE DERIVATIVE OF 2-(4-BUTYLPIPERAZINE-1-YL)PYRIDINES BRISTOL MYERS CO 1986-07-29 JP 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-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals NR5A2, NR5A1, NR4A1 KCNH2 2260/4885POLB 1490/4885HTR1A 177/4885

“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.