SCHEMBL6802473

SCHEMBL6802473

Oc1ccc(CNCC2(c3ccccn3)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.47
KDM4E B2RXH2 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
ADRB2 P07550 2/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
NMBR P28336 1/20 0.36

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
SCHEMBL6249722 0.89 OPRM1 (0.56) OPRM1KDM4EGRIN1GRIN2AGRIN2B
SCHEMBL6798038 0.88 OPRM1 (0.40) OPRM1KDM4EGRIN1GRIN2AGRIN2B
SCHEMBL6808963 0.84 OPRM1 (0.44) OPRM1KDM4EDRD3ALDH1A1HTT
SCHEMBL6245372 0.82 ADRB2 (0.45) OPRM1KDM4EGRIN1GRIN2AGRIN2B
SCHEMBL6808948 0.79 ALDH1A1 (0.43) KDM4EADRB2ALDH1A1HTT
SCHEMBL6804377 0.77 LTA4H (0.33) ADRB2ALDH1A1HTT
SCHEMBL6808905 0.75 OPRM1 (0.41) OPRM1KDM4EGRIN1GRIN2AGRIN2B
SCHEMBL6275107 0.75 ALDH1A1 (0.44) OPRM1KDM4EGRIN1GRIN2AGRIN2B
SCHEMBL20777845 0.74 KDM4E (0.47) OPRM1KDM4EGRIN1GRIN2AGRIN2B
SCHEMBL6808215 0.74 SLC6A9 (0.49) OPRM1ALDH1A1NMBR

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-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR OPRM1 124/4885KDM4E 3172/4885GRIN1 780/4885

“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.