SCHEMBL5578911

SCHEMBL5578911

CCCCN1CC2(CCN(C(=O)C(C)C)CC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.49
HDAC6 Q9UBN7 12/20 0.49
HDAC8 Q9BY41 6/20 0.45
NPY5R Q15761 1/20 0.45
NOTUM Q6P988 2/20 0.44
TACR1 P25103 1/20 0.43
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL5578859 0.89 HDAC1 (0.46) HDAC1HDAC6HDAC8NPY5RNOTUM
SCHEMBL5578574 0.85 HDAC1 (0.51) HDAC1HDAC6HDAC8NPY5RTACR1
SCHEMBL5578515 0.82 HDAC1 (0.44) HDAC1HDAC6HDAC8NPY5RNOTUM
SCHEMBL13209389 0.77 HDAC1 (0.47) HDAC1HDAC6HDAC8NPY5RNOTUM
SCHEMBL5578503 0.77 HDAC1 (0.50) HDAC1HDAC6HDAC8TACR1TSHR
SCHEMBL5578791 0.76 SIGMAR1 (0.57) SLC18A3SIGMAR1
SCHEMBL13227805 0.75 HDAC1 (0.64) HDAC1HDAC6HDAC8NPY5RNOTUM
SCHEMBL5578612 0.75 HDAC1 (0.55) HDAC1HDAC6HDAC8NOTUMTACR1
SCHEMBL5579057 0.75 HDAC1 (0.48) HDAC1HDAC6HDAC8TACR1
SCHEMBL13228097 0.74 HDAC1 (0.54) HDAC1HDAC6HDAC8NPY5RNOTUM

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 5 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
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.