SCHEMBL5579105

SCHEMBL5579105

CC(C)(C)c1ccc2c(c1)C1(CCN(CC3CCC3)CC1)CN2C(=O)c1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
OPRL1 P41146 3/20 0.42
OPRK1 P41145 4/20 0.40
OPRD1 P41143 2/20 0.37
KCNH2 Q12809 4/20 0.37
NPY2R P49146 1/20 0.36
BDKRB1 P46663 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
P2RY1 P47900 1/20 0.35

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
SCHEMBL5579031 0.88 OPRM1 (0.47) OPRM1OPRL1OPRK1OPRD1KCNH2
SCHEMBL5578854 0.86 NOTUM (0.46) OPRM1OPRL1OPRK1SIGMAR1
SCHEMBL4890372 0.86 P2RY1 (0.37) SIGMAR1P2RY1
SCHEMBL5579345 0.86 OPRK1 (0.49) OPRM1OPRL1OPRK1OPRD1KCNH2
SCHEMBL5578810 0.85 OPRK1 (0.41) OPRM1OPRL1OPRK1OPRD1KCNH2
SCHEMBL5578595 0.84 NOTUM (0.46) OPRM1OPRL1OPRK1SIGMAR1
SCHEMBL5579044 0.84 NOTUM (0.45) OPRM1OPRL1OPRK1OPRD1SIGMAR1
SCHEMBL4821789 0.84 P2RY1 (0.39) P2RY1
SCHEMBL4893251 0.84 P2RY1 (0.36) OPRM1OPRL1SIGMAR1P2RY1
SCHEMBL5578583 0.83 OPRK1 (0.47) OPRM1OPRL1OPRK1OPRD1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US claimed
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.