SCHEMBL5578573

SCHEMBL5578573

CC(C)(C)OC(=O)N1CC2(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC8 Q9BY41 3/20 0.50
KDM1A O60341 1/20 0.48
NOTUM Q6P988 2/20 0.45
TSHR P16473 2/20 0.45
ATM Q13315 1/20 0.42
TACR1 P25103 2/20 0.42
USP30 Q70CQ3 1/20 0.41
GHSR Q92847 1/20 0.41
NPC1L1 Q9UHC9 1/20 0.40
ALOX15 P16050 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
SCHEMBL5578612 0.88 HDAC1 (0.55) HDAC1HDAC6HDAC8KDM1ANOTUM
SCHEMBL17807330 0.83 NOTUM (0.64) HDAC1HDAC6HDAC8KDM1ANOTUM
SCHEMBL29384374 0.82 KDM1A (0.56) HDAC1HDAC6HDAC8KDM1ANOTUM
SCHEMBL13085702 0.82 KDM1A (0.56) HDAC1HDAC6HDAC8KDM1ANOTUM
SCHEMBL5578976 0.80 ATM (0.46) HDAC1HDAC6HDAC8KDM1ATSHR
SCHEMBL2800892 0.80 HDAC1 (0.56) HDAC1HDAC6HDAC8KDM1ANOTUM
SCHEMBL13989330 0.80 NOTUM (0.65) HDAC1HDAC6HDAC8KDM1ANOTUM
SCHEMBL18133613 0.79 HDAC1 (0.59) HDAC1HDAC6HDAC8KDM1ANOTUM
SCHEMBL5578582 0.79 KDM1A (0.51) HDAC1HDAC6HDAC8KDM1ANOTUM
SCHEMBL13309551 0.79 HDAC1 (0.56) HDAC1HDAC6HDAC8KDM1ANOTUM

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 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.