SCHEMBL6491669

SCHEMBL6491669

O=[N+]([O-])c1ccc2c(c1)CCN(CCc1ccccc1)C2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.58
ABCG2 Q9UNQ0 3/20 0.58
SIGMAR1 Q99720 2/20 0.56
GRIN2B Q13224 4/20 0.53
GRIN1 Q05586 2/20 0.53
KCNJ1 P48048 1/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 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
SCHEMBL28020837 0.90 SIGMAR1 (0.58) ABCB1ABCG2SIGMAR1GRIN2BKCNJ1
SCHEMBL6296037 0.87 DRD4 (0.54) SIGMAR1GRIN2BGRIN1
SCHEMBL7598211 0.86 ABCB1 (0.74) ABCB1ABCG2SIGMAR1KCNJ1KCNH2
Water SCHEMBL10361432 0.83 KCNJ1 (0.68) ABCB1ABCG2SIGMAR1KCNJ1KCNH2
Water SCHEMBL10361433 0.83 KCNJ1 (0.68) ABCB1ABCG2SIGMAR1KCNJ1KCNH2
SCHEMBL6493156 0.82 GRIN1 (0.49) ABCB1ABCG2GRIN2BGRIN1
SCHEMBL6291722 0.82 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL21412698 0.82 SIGMAR1 (0.52) SIGMAR1GRIN2BGRIN1HRH3
Hydrochloric Acid SCHEMBL8186681 0.81 GRIN2B (0.54) SIGMAR1GRIN2BGRIN1
SCHEMBL8790326 0.80 KCNJ1 (0.67) ABCB1ABCG2KCNJ1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 ABCB1 699/4885ABCG2 436/4885SIGMAR1 792/4885

“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.