SCHEMBL5578855

SCHEMBL5578855

CCCCN1CCC2(CC1)CN(C(=O)C1CCC1)c1ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.44
SLC18A3 Q16572 1/20 0.44
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
EBP Q15125 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL5579084 0.86 OPRM1 (0.48) SIGMAR1OPRM1OPRK1OPRL1
SCHEMBL5578940 0.85 SIGMAR1 (0.49) SIGMAR1SLC18A3OPRL1EBP
SCHEMBL5578762 0.84 OPRM1 (0.50) SIGMAR1OPRM1OPRK1OPRL1
SCHEMBL5578609 0.83 OPRM1 (0.52) SIGMAR1OPRM1OPRK1OPRL1
SCHEMBL14366301 0.82 OPRM1 (0.38) SIGMAR1OPRM1OPRK1OPRL1
SCHEMBL5579060 0.81 OPRM1 (0.39) SIGMAR1OPRM1OPRK1OPRL1
SCHEMBL5578446 0.80 CACNA1G (0.49)
SCHEMBL5578618 0.80 SIGMAR1 (0.46) SIGMAR1SLC18A3EBP
SCHEMBL12084384 0.79 MEN1 (0.49) CHRM1
SCHEMBL5578881 0.78 SIGMAR1 (0.47) SIGMAR1SLC18A3EBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL SIGMAR1 444/4885SLC18A3 2869/4885OPRM1 630/4885

“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.