SCHEMBL6107367

SCHEMBL6107367

O=C(Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.58
ABCG2 Q9UNQ0 2/20 0.58
HTR1A P08908 5/20 0.52
HTR7 P34969 1/20 0.52
DRD2 P14416 4/20 0.51
HTR2A P28223 4/20 0.51
KCNH2 Q12809 2/20 0.49

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
SCHEMBL6107633 0.91 HTR1A (0.55) ABCG2HTR1AHTR7DRD2HTR2A
SCHEMBL6106641 0.86 HCAR2 (0.51) HTR1AHTR7DRD2HTR2A
SCHEMBL6107598 0.86 HTR1A (0.55) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6107977 0.86 HTR1A (0.55) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6105302 0.86 HTR1A (0.56) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6106238 0.84 HTR1A (0.64) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6107107 0.84 HTR1A (0.56) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6109985 0.84 HTR1A (0.54) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6108056 0.83 HTR1A (0.61) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6108171 0.82 HTR1A (0.73) HTR1AHTR7DRD2HTR2AKCNH2

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 ABCB1 82/4885ABCG2 381/4885HTR1A 23/4885

“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.