SCHEMBL5578489

SCHEMBL5578489

C=CCN1CCC2(CC1)CN(C(=O)c1ccccc1Cl)c1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
NOTUM Q6P988 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
HDAC8 Q9BY41 1/20 0.39
TP53 P04637 1/20 0.38
NPY5R Q15761 1/20 0.38
RAB9A P51151 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL5578766 0.88 HDAC1 (0.38) HDAC1HDAC6NOTUMSIGMAR1
SCHEMBL5578690 0.87 HDAC1 (0.46) HDAC1HDAC6NOTUMSIGMAR1HDAC8
SCHEMBL5579550 0.85 HDAC1 (0.44) HDAC1HDAC6NOTUMSIGMAR1
SCHEMBL5578818 0.85 ALDH1A1 (0.47) HDAC1HDAC6NOTUMSIGMAR1TP53
SCHEMBL5578767 0.85 ATM (0.45) HDAC1HDAC6NOTUMSIGMAR1HDAC8
SCHEMBL5579103 0.83 HDAC1 (0.48) HDAC1HDAC6NOTUMSIGMAR1
SCHEMBL5578644 0.82 HDAC1 (0.49) HDAC1HDAC6NOTUMSIGMAR1HDAC8
SCHEMBL5578789 0.82 HDAC1 (0.52) HDAC1HDAC6NOTUMSIGMAR1HDAC8
SCHEMBL5578434 0.82 HDAC1 (0.46) HDAC1HDAC6NOTUMSIGMAR1HDAC8
SCHEMBL5578482 0.82 SIGMAR1 (0.43) HDAC1HDAC6NOTUMSIGMAR1

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 7 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
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 767/4885NOTUM 3318/4885

“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.