SCHEMBL5579010

SCHEMBL5579010

C=CCN1CCC2(CC1)CN(C(=O)c1ccc(Cl)nc1)c1ccc(F)cc12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RAB9A P51151 2/20 0.37
NOTUM Q6P988 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
AKT1 P31749 1/20 0.34
PRKAA2 P54646 1/20 0.33
BDKRB1 P46663 1/20 0.33
PDE4B Q07343 1/20 0.33
NPY5R Q15761 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
SCHEMBL5578444 0.88 HDAC1 (0.38) HDAC1HDAC6NOTUMSLC18A3SIGMAR1
SCHEMBL5578500 0.88 HDAC1 (0.43) HDAC1HDAC6NOTUMSLC18A3SIGMAR1
SCHEMBL5578712 0.88 HDAC1 (0.43) HDAC1HDAC6NOTUMSLC18A3SIGMAR1
SCHEMBL5578541 0.88 HDAC1 (0.36) SMN1; SMN2HDAC1HDAC6NOTUMSLC18A3
SCHEMBL5578443 0.86 NOTUM (0.40) HDAC1HDAC6NOTUMSLC18A3SIGMAR1
SCHEMBL5578688 0.84 HDAC1 (0.48) HDAC1HDAC6SLC18A3SIGMAR1
SCHEMBL5578562 0.84 NOTUM (0.35) HDAC1HDAC6NOTUMSIGMAR1AKT1
SCHEMBL5578551 0.84 HDAC1 (0.36) SMN1; SMN2HDAC1HDAC6RAB9ASLC18A3
SCHEMBL5578768 0.84 HDAC1 (0.41) SMN1; SMN2HDAC1HDAC6NOTUM
SCHEMBL14618521 0.83 HDAC1 (0.38) HDAC1HDAC6NOTUMSLC18A3SIGMAR1

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 SMN1; SMN2 236/4885HDAC1 885/4885HDAC6 767/4885

“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.