SCHEMBL5578495

SCHEMBL5578495

C=CCN1CCC2(CC1)CN(C(=O)N1CCCC1)c1ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
AKT1 P31749 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
NOTUM Q6P988 1/20 0.35
SLC18A3 Q16572 1/20 0.35
OPRD1 P41143 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5578647 0.91 CTSS (0.38) SIGMAR1PTGDR2AKT1
SCHEMBL5578712 0.84 HDAC1 (0.43) SIGMAR1PTGDR2NOTUMSLC18A3TSHR
SCHEMBL14366301 0.84 OPRM1 (0.38) SIGMAR1PTGDR2NOTUMOPRM1OPRK1
SCHEMBL5579022 0.83 SIGMAR1 (0.38) SIGMAR1PTGDR2SLC18A3
SCHEMBL5578678 0.83 OPRM1 (0.48) SIGMAR1OPRM1OPRK1OPRL1
SCHEMBL5579060 0.83 OPRM1 (0.39) SIGMAR1PTGDR2OPRM1OPRK1OPRL1
SCHEMBL5578483 0.82 PTGDR2 (0.36) SIGMAR1MEN1KMT2APTGDR2NOTUM
SCHEMBL5578688 0.82 HDAC1 (0.48) SIGMAR1PTGDR2SLC18A3TSHR
SCHEMBL5578670 0.82 OPRM1 (0.49) SIGMAR1OPRD1OPRM1OPRK1OPRL1
SCHEMBL5579054 0.82 CYP2D6 (0.44) TSHR

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 SIGMAR1 444/4885MEN1 882/4885KMT2A 1940/4885

“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.