SCHEMBL6109727

SCHEMBL6109727

Cc1cccc(S(=O)(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.72
DRD2 P14416 13/20 0.72
HTR7 P34969 11/20 0.72
HTR6 P50406 10/20 0.72
HTR1A P08908 7/20 0.55
DRD3 P35462 1/20 0.53
KCNH2 Q12809 2/20 0.51

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
SCHEMBL6107499 0.92 DRD2 (0.71) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL6107807 0.90 DRD2 (0.65) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL6105586 0.90 DRD2 (0.64) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL6107310 0.89 DRD2 (0.57) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL6106372 0.87 DRD2 (0.57) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL6106353 0.87 DRD2 (0.54) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL6106061 0.86 HTR2A (0.72) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL6105269 0.85 HTR7 (0.60) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL6106853 0.85 DRD2 (0.55) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL6105581 0.84 HTR7 (0.55) HTR2ADRD2HTR7HTR6HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101886-B2 Phenylalkyl and pyridylalkyl piperazine derivatives WARNER LAMBERT COMPANY (US) 2006-09-05 US disclosed
US-20040186108-A1 Phenylalkyl and pyridylalkyl piperazine derivatives CHO STEPHEN SUNG YONG (US) 2004-09-23 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-20040186108-A1 Phenylalkyl and pyridylalkyl piperazine derivatives CNR1, CNR2, PMP22 HTR2A 61/4885DRD2 45/4885HTR7 277/4885

“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.