SCHEMBL6107633

SCHEMBL6107633

O=C(Nc1cccc(CCN2CCN(c3nsc4ccccc34)CC2)c1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.55
HTR2A P28223 12/20 0.55
DRD2 P14416 8/20 0.55
HTR7 P34969 1/20 0.51
KCNH2 Q12809 11/20 0.51
ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL6107367 0.91 ABCB1 (0.58) HTR1AHTR2ADRD2HTR7KCNH2
SCHEMBL6108816 0.87 HTR1A (0.61) HTR1AHTR2ADRD2HTR7KCNH2
SCHEMBL6105815 0.87 HTR1A (0.55) HTR1AHTR2ADRD2HTR7KCNH2
SCHEMBL6105622 0.86 HTR1A (0.62) HTR1AHTR2ADRD2HTR7KCNH2
SCHEMBL6104305 0.85 HTR1A (0.54) HTR1AHTR2ADRD2HTR7KCNH2
SCHEMBL6107779 0.85 HTR1A (0.63) HTR1AHTR2ADRD2HTR7KCNH2
SCHEMBL6107510 0.85 HTR1A (0.63) HTR1AHTR2ADRD2HTR7KCNH2
SCHEMBL6106641 0.84 HCAR2 (0.51) HTR1AHTR2ADRD2HTR7
SCHEMBL6106916 0.84 HTR1A (0.61) HTR1AHTR2ADRD2HTR7KCNH2
SCHEMBL6105081 0.83 HTR1A (0.59) HTR1AHTR2ADRD2HTR7KCNH2

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 HTR1A 23/4885HTR2A 61/4885DRD2 45/4885

“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.