SCHEMBL5578712

SCHEMBL5578712

C=CCN1CCC2(CC1)CN(C(=O)c1ccc(F)cc1)c1ccc(F)cc12

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
SIGMAR1 Q99720 3/20 0.41
SLC18A3 Q16572 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.37
NOTUM Q6P988 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5578500 0.94 HDAC1 (0.43) HDAC1HDAC6SIGMAR1SLC18A3NOTUM
SCHEMBL5578688 0.94 HDAC1 (0.48) HDAC1HDAC6SIGMAR1SLC18A3PTGDR2
SCHEMBL5578902 0.91 NQO2 (0.41) HDAC1HDAC6PTGDR2TSHRTP53
SCHEMBL14618521 0.91 HDAC1 (0.38) HDAC1HDAC6SIGMAR1SLC18A3PTGDR2
SCHEMBL5579054 0.91 CYP2D6 (0.44) HDAC1HDAC6TSHR
SCHEMBL5578510 0.91 HDAC1 (0.39) HDAC1HDAC6SIGMAR1SLC18A3
SCHEMBL5578443 0.90 NOTUM (0.40) HDAC1HDAC6SIGMAR1SLC18A3PTGDR2
SCHEMBL5579022 0.88 SIGMAR1 (0.38) HDAC1HDAC6SIGMAR1SLC18A3PTGDR2
SCHEMBL5578655 0.88 HDAC1 (0.36) HDAC1HDAC6SIGMAR1SLC18A3PTGDR2
SCHEMBL5578444 0.88 HDAC1 (0.38) HDAC1HDAC6SIGMAR1SLC18A3PTGDR2

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 767/4885SIGMAR1 444/4885

“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.