SCHEMBL5578503

SCHEMBL5578503

Cc1ccc(CN2CC3(CCN(C(=O)C(C)C)CC3)c3ccccc32)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.50
HDAC6 Q9UBN7 12/20 0.50
HDAC8 Q9BY41 6/20 0.46
TACR1 P25103 4/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
GRIN2B Q13224 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5578589 0.91 HDAC1 (0.46) HDAC1HDAC6HDAC8TACR1TSHR
SCHEMBL5578454 0.85 HDAC1 (0.44) HDAC1HDAC6HDAC8TSHRPOLB
SCHEMBL5578487 0.83 GRIN2B (0.60) HDAC1HDAC6HDAC8TACR1GRIN2B
SCHEMBL5578765 0.79 GRIN2B (0.45) GRIN2B
SCHEMBL5578911 0.77 HDAC1 (0.49) HDAC1HDAC6HDAC8TACR1TSHR
SCHEMBL5579057 0.77 HDAC1 (0.48) HDAC1HDAC6HDAC8TACR1NPSR1
SCHEMBL5578796 0.77 SMN1; SMN2 (0.43) HDAC1HDAC6TSHRPOLBNPSR1
SCHEMBL5578574 0.76 HDAC1 (0.51) HDAC1HDAC6HDAC8TACR1
SCHEMBL13209389 0.73 HDAC1 (0.47) HDAC1HDAC6HDAC8TACR1
SCHEMBL28741120 0.73 HDAC1 (0.52) HDAC1HDAC6HDAC8TACR1GRIN2B

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.