SCHEMBL5578841

SCHEMBL5578841

O=C(C1CCC1)N1CC2(CCN(CC3CC3)CC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
NOTUM Q6P988 2/20 0.47
OPRL1 P41146 6/20 0.45
OPRM1 P35372 3/20 0.44
OPRK1 P41145 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL5579021 0.97 SIGMAR1 (0.50) SIGMAR1NOTUMOPRL1OPRM1OPRK1
SCHEMBL5579084 0.85 OPRM1 (0.48) SIGMAR1OPRL1OPRM1OPRK1KCNH2
SCHEMBL5578940 0.84 SIGMAR1 (0.49) SIGMAR1NOTUMOPRL1HDAC1HDAC6
SCHEMBL14580774 0.84 OPRL1 (0.54) SIGMAR1NOTUMOPRL1OPRM1OPRK1
SCHEMBL5578522 0.84 SIGMAR1 (0.51) SIGMAR1NOTUMOPRM1HDAC1HDAC6
SCHEMBL5578527 0.84 NOTUM (0.50) SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL14580848 0.83 OPRL1 (0.56) SIGMAR1NOTUMOPRL1OPRM1OPRK1
SCHEMBL5578762 0.83 OPRM1 (0.50) SIGMAR1OPRL1OPRM1OPRK1
SCHEMBL5578609 0.82 OPRM1 (0.52) SIGMAR1OPRL1OPRM1OPRK1
SCHEMBL5578501 0.81 NOTUM (0.50) SIGMAR1NOTUMHDAC1HDAC6

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 4 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 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 444/4885NOTUM 3318/4885OPRL1 240/4885

“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.