SCHEMBL13711971

SCHEMBL13711971

c1ccc(N2CCN(CCN3CCN(c4ccccn4)CC3)CC2)nc1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.71
POLB P06746 1/20 0.71
HTR1A P08908 5/20 0.66
DRD4 P21917 4/20 0.62
DRD2 P14416 3/20 0.62
HTR2A P28223 3/20 0.62
HTR7 P34969 3/20 0.62
DRD3 P35462 3/20 0.62
ADRA2C P18825 2/20 0.62
DRD1 P21728 2/20 0.62
DRD5 P21918 2/20 0.62
HRH1 P35367 2/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A4 P31645 1/20 0.62
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL11070192 0.93 KCNH2 (0.64) KCNH2POLBHTR1ADRD4DRD2
Hydrochloric Acid SCHEMBL11060044 0.93 POLB (0.64) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL18301489 0.93 KCNH2 (0.64) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL11059996 0.92 KCNH2 (0.67) KCNH2POLBHTR1ADRD4DRD2
Hydrochloric Acid SCHEMBL11061880 0.92 POLB (0.62) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL13711975 0.92 KCNH2 (0.86) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL26107525 0.91 KCNH2 (0.85) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL26108725 0.91 KCNH2 (0.85) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL4519313 0.91 KCNH2 (0.85) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL1307947 0.90 KCNH2 (0.64) KCNH2POLBHTR1ADRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 KCNH2 769/4885POLB 4620/4885HTR1A 15/4885

“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.