SCHEMBL5578738

SCHEMBL5578738

C=CCN1CCC2(CC1)CN(C(=O)C1CCCCC1)c1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
NOTUM Q6P988 2/20 0.44
POLB P06746 1/20 0.43
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
SLC18A3 Q16572 2/20 0.39
HDAC8 Q9BY41 1/20 0.37
BCHE P06276 1/20 0.37
HTR2A P28223 1/20 0.37
TSHR P16473 1/20 0.37
HSD11B1 P28845 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL5579060 0.86 OPRM1 (0.39) SIGMAR1
SCHEMBL5579021 0.85 SIGMAR1 (0.50) SIGMAR1NOTUM
SCHEMBL14366301 0.85 OPRM1 (0.38) SIGMAR1NOTUM
SCHEMBL5578841 0.81 SIGMAR1 (0.49) SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL5578501 0.81 NOTUM (0.50) SIGMAR1NOTUMPOLBHDAC1HDAC6
SCHEMBL5578527 0.81 NOTUM (0.50) SIGMAR1NOTUMPOLBHDAC1HDAC6
SCHEMBL5578940 0.80 SIGMAR1 (0.49) SIGMAR1NOTUMHDAC1HDAC6SLC18A3
SCHEMBL5578522 0.79 SIGMAR1 (0.51) SIGMAR1NOTUMHDAC1HDAC6HTR2A
SCHEMBL5578489 0.79 HDAC1 (0.48) SIGMAR1NOTUMHDAC1HDAC6HDAC8
SCHEMBL5578434 0.77 HDAC1 (0.46) SIGMAR1NOTUMHDAC1HDAC6SLC18A3

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 7 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
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 SIGMAR1 444/4885NOTUM 3318/4885POLB 3703/4885

“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.