SCHEMBL5578762

SCHEMBL5578762

O=C(C1CCCC1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.50
OPRL1 P41146 3/20 0.50
OPRK1 P41145 2/20 0.50
SIGMAR1 Q99720 5/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
CTSS P25774 1/20 0.38
TP53 P04637 1/20 0.38
OPRD1 P41143 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
SCHEMBL5578609 0.99 OPRM1 (0.52) OPRM1OPRL1OPRK1SIGMAR1DRD2
SCHEMBL5579084 0.98 OPRM1 (0.48) OPRM1OPRL1OPRK1SIGMAR1DRD2
SCHEMBL12084309 0.86 OPRL1 (0.56) OPRM1OPRL1OPRK1SIGMAR1OPRD1
SCHEMBL13000278 0.86 NOTUM (0.50) OPRM1OPRL1OPRK1SIGMAR1DRD2
SCHEMBL14366301 0.86 OPRM1 (0.38) OPRM1OPRL1OPRK1SIGMAR1CTSS
SCHEMBL12084839 0.85 OPRL1 (0.58) OPRM1OPRL1OPRK1SIGMAR1CTSS
SCHEMBL5578678 0.85 OPRM1 (0.48) OPRM1OPRL1OPRK1SIGMAR1DRD2
SCHEMBL5579060 0.85 OPRM1 (0.39) OPRM1OPRL1OPRK1SIGMAR1CTSS
SCHEMBL5578670 0.84 OPRM1 (0.49) OPRM1OPRL1OPRK1SIGMAR1DRD2
SCHEMBL5578544 0.84 SIGMAR1 (0.47) OPRM1OPRL1OPRK1SIGMAR1DRD2

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 7 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
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 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 OPRM1 630/4885OPRL1 240/4885OPRK1 131/4885

“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.