SCHEMBL5578574

SCHEMBL5578574

CC(C)C(=O)N1CCC2(CC1)CN(CCc1ccccc1)c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.51
HDAC6 Q9UBN7 10/20 0.51
HDAC8 Q9BY41 4/20 0.49
TACR1 P25103 6/20 0.48
OPRM1 P35372 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
NPC1L1 Q9UHC9 1/20 0.46
TACR2 P21452 1/20 0.44
NPY5R Q15761 1/20 0.44

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
SCHEMBL5578553 0.89 HDAC1 (0.49) HDAC1HDAC6HDAC8TACR1OPRM1
SCHEMBL5578911 0.85 HDAC1 (0.49) HDAC1HDAC6HDAC8TACR1SIGMAR1
SCHEMBL5578865 0.81 HTT (0.47) HDAC1HDAC6HDAC8OPRM1SIGMAR1
SCHEMBL5578859 0.77 HDAC1 (0.46) HDAC1HDAC6HDAC8TACR1SIGMAR1
SCHEMBL13209389 0.76 HDAC1 (0.47) HDAC1HDAC6HDAC8TACR1NPC1L1
SCHEMBL5578503 0.76 HDAC1 (0.50) HDAC1HDAC6HDAC8TACR1
SCHEMBL2801717 0.76 HDAC1 (0.65) HDAC1HDAC6HDAC8TACR1NPY5R
SCHEMBL5579057 0.74 HDAC1 (0.48) HDAC1HDAC6HDAC8TACR1OPRM1
SCHEMBL30733409 0.74 HDAC1 (0.59) HDAC1HDAC6HDAC8SIGMAR1
SCHEMBL20954985 0.73 HDAC1 (0.67) HDAC1HDAC6HDAC8TACR1NPC1L1

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 9 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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO disclosed
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP disclosed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 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 HDAC1 885/4885HDAC6 767/4885HDAC8 2130/4885

“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.