SCHEMBL6489490

SCHEMBL6489490

Nc1ccc2c(c1)CCN(CCc1cccc(NC(=O)O)n1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.45
ABCG2 Q9UNQ0 8/20 0.45
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
PRMT5 O14744 5/20 0.39
WDR77 Q9BQA1 5/20 0.39
HSD17B3 P37058 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6496454 0.84 ABCB1 (0.48) ABCB1ABCG2MEN1KMT2A
SCHEMBL6496463 0.84 ABCB1 (0.48) ABCB1ABCG2MEN1KMT2A
SCHEMBL6501779 0.75 DRD2 (0.46) ABCB1ABCG2PRMT5WDR77
SCHEMBL6496773 0.75 ABCB1 (0.40) ABCB1ABCG2PRMT5WDR77
SCHEMBL6489547 0.73 ABCB1 (0.53) ABCB1ABCG2OPRM1OPRD1OPRK1
SCHEMBL2844019 0.72 SIGMAR1 (0.47) ABCB1ABCG2KDM4EALOX15OPRM1
SCHEMBL21239023 0.71 HDAC3 (0.53) KDM4EALOX15PRMT5WDR77MEN1
SCHEMBL1075208 0.71 MAOA (0.49)
SCHEMBL27583377 0.71 NR3C2 (0.46) KDM4EMEN1KMT2A
SCHEMBL6967685 0.71 PRMT5 (0.47) ABCB1KDM4EPRMT5WDR77MEN1

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 1 patent. 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

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 436/4885KDM4E 2286/4885

“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.