SCHEMBL13711963

SCHEMBL13711963

Cc1cccc(N2CCN(CCCCNC(=O)c3cccc(C)n3)CC2)c1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.80
DRD3 P35462 14/20 0.80
HTR1A P08908 13/20 0.80
HTR2C P28335 7/20 0.79
DRD2 P14416 4/20 0.73
KCNH2 Q12809 4/20 0.65
HRH1 P35367 1/20 0.62
SLC6A4 P31645 1/20 0.58

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
SCHEMBL4531568 0.89 DRD3 (1.00) HTR2ADRD3HTR1AHTR2CDRD2
SCHEMBL4522867 0.88 DRD3 (1.00) HTR2ADRD3HTR1AHTR2CDRD2
SCHEMBL4522741 0.87 HTR1A (0.79) HTR2ADRD3HTR1AHTR2CDRD2
SCHEMBL4532335 0.84 DRD3 (1.00) HTR2ADRD3HTR1AHTR2CDRD2
SCHEMBL4525601 0.83 HSD17B10 (0.72) HTR2ADRD3HTR1AHTR2CDRD2
SCHEMBL4522956 0.79 DRD3 (1.00) HTR2ADRD3HTR1AHTR2CDRD2
SCHEMBL11065784 0.78 KCNH2 (0.62) HTR2ADRD3HTR1AHTR2CDRD2
SCHEMBL4521524 0.77 KCNH2 (1.00) HTR2ADRD3HTR1AHTR2CKCNH2
SCHEMBL4525524 0.77 HTR1A (1.00) HTR2ADRD3HTR1AHTR2CDRD2
SCHEMBL4520989 0.76 DRD3 (1.00) HTR2ADRD3HTR1AHTR2CDRD2

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 HTR2A 2/4885DRD3 10/4885HTR1A 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.