SCHEMBL5579044

SCHEMBL5579044

O=C(c1c(F)cccc1F)N1CC2(CCN(CC3CCCCC3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
OPRL1 P41146 5/20 0.44
OPRM1 P35372 4/20 0.44
OPRK1 P41145 3/20 0.43
SIGMAR1 Q99720 5/20 0.41
OPRD1 P41143 1/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL5578595 0.99 NOTUM (0.46) NOTUMOPRL1OPRM1OPRK1SIGMAR1
SCHEMBL5578854 0.97 NOTUM (0.46) NOTUMOPRL1OPRM1OPRK1SIGMAR1
SCHEMBL5578602 0.88 LMNA (0.44) NOTUM
SCHEMBL5578948 0.87 NOTUM (0.41) NOTUMOPRM1SIGMAR1OPRD1
SCHEMBL5579031 0.86 OPRM1 (0.47) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL5578650 0.86 NOTUM (0.46) NOTUMDRD2
SCHEMBL5579345 0.84 OPRK1 (0.49) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL5579105 0.84 OPRM1 (0.42) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL5578810 0.83 OPRK1 (0.41) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL5578703 0.83 NOTUM (0.48) NOTUM

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 6 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
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 NOTUM 3318/4885OPRL1 240/4885OPRM1 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.