SCHEMBL6489547

SCHEMBL6489547

Nc1ccc2c(c1)CCN(CCc1ccccc1)C2

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.53
ABCG2 Q9UNQ0 3/20 0.53
SIGMAR1 Q99720 3/20 0.51
HRH3 Q9Y5N1 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 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
SCHEMBL6973388 0.85 TMEM97 (0.60) SIGMAR1HRH3OPRM1OPRD1OPRK1
SCHEMBL24349700 0.84 ABCB1 (0.70) ABCB1ABCG2SIGMAR1HRH3OPRM1
SCHEMBL6512477 0.83 HRH3 (0.68) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL7600991 0.82 ABCB1 (0.68) ABCB1ABCG2SIGMAR1HRH3OPRM1
SCHEMBL10361498 0.82 SIGMAR1 (0.53) ABCB1ABCG2SIGMAR1HRH3
SCHEMBL6501779 0.80 DRD2 (0.46) ABCB1ABCG2
SCHEMBL7743687 0.80 ABCB1 (0.62) ABCB1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL8900524 0.79 PNMT (0.54) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL21412795 0.79 SIGMAR1 (0.59) SIGMAR1HRH3
SCHEMBL1953020 0.79 DRD2 (0.46) ABCB1ABCG2SIGMAR1

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.