SCHEMBL5578435

SCHEMBL5578435

O=C(N1CCOCC1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRB2 P47870 1/20 0.38
AKR1C3 P42330 1/20 0.37
KCNH2 Q12809 1/20 0.37
EBP Q15125 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
SCHEMBL5578678 0.91 OPRM1 (0.48) OPRM1OPRK1OPRL1KCNH2
SCHEMBL5578670 0.90 OPRM1 (0.49) CTSSOPRM1OPRK1OPRL1KCNH2
SCHEMBL13000436 0.85 OPRM1 (0.46) CTSSOPRM1OPRK1OPRL1EBP
SCHEMBL5578647 0.84 CTSS (0.38) CTSSGABRA1GABRA3GABRB2AKR1C3
SCHEMBL13000278 0.83 NOTUM (0.50) OPRM1OPRK1OPRL1KCNH2
SCHEMBL14580805 0.83 OPRM1 (0.44) CTSSOPRM1OPRK1OPRL1KCNH2
SCHEMBL5578544 0.82 SIGMAR1 (0.47) OPRM1OPRK1OPRL1
SCHEMBL5578762 0.81 OPRM1 (0.50) CTSSOPRM1OPRK1OPRL1
SCHEMBL5579084 0.81 OPRM1 (0.48) CTSSOPRM1OPRK1OPRL1KCNH2
SCHEMBL5578609 0.80 OPRM1 (0.52) CTSSOPRM1OPRK1OPRL1

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 CTSS 2731/4885OPRM1 630/4885OPRK1 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.