SCHEMBL6501779

SCHEMBL6501779

Nc1ccc2c(c1)CCN(CCc1ccccn1)C2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
KCNH2 Q12809 1/20 0.46
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
HRH1 P35367 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL6957984 0.87 DRD2 (0.56) DRD2KCNH2PRMT5WDR77HRH1
SCHEMBL6489547 0.80 ABCB1 (0.53) ABCB1ABCG2
SCHEMBL6493156 0.80 GRIN1 (0.49) ABCB1ABCG2
SCHEMBL6970695 0.79 DRD4 (0.46) DRD2KCNH2HRH1
SCHEMBL6638799 0.79 HRH1 (0.43) DRD2KCNH2HRH1
SCHEMBL6636318 0.79 HRH1 (0.43) DRD2KCNH2HRH1
SCHEMBL6489490 0.75 ABCB1 (0.45) PRMT5WDR77ABCB1ABCG2
SCHEMBL6961377 0.75 KDM4E (0.53)
SCHEMBL1953020 0.74 DRD2 (0.46) DRD2ABCB1ABCG2
SCHEMBL21412795 0.74 SIGMAR1 (0.59) DRD2

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 DRD2 2927/4885KCNH2 1952/4885PRMT5 1184/4885

“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.