SCHEMBL5578434

SCHEMBL5578434

C=CCN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NOTUM Q6P988 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
SLC18A3 Q16572 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL5578690 0.90 HDAC1 (0.46) HDAC1HDAC6NOTUMSIGMAR1SLC18A3
SCHEMBL5578767 0.90 ATM (0.45) HDAC1HDAC6NOTUMSIGMAR1SLC18A3
SCHEMBL5579022 0.89 SIGMAR1 (0.38) HDAC1HDAC6SIGMAR1SLC18A3
SCHEMBL5578482 0.85 SIGMAR1 (0.43) HDAC1HDAC6NOTUMSIGMAR1SLC18A3
SCHEMBL5578516 0.84 SIGMAR1 (0.34) HDAC1HDAC6NOTUMSIGMAR1
SCHEMBL5578844 0.83 SIGMAR1 (0.38) HDAC1HDAC6SIGMAR1SLC18A3
SCHEMBL5579550 0.82 HDAC1 (0.44) HDAC1HDAC6NOTUMSIGMAR1SLC18A3
SCHEMBL5578643 0.82 SIGMAR1 (0.49) SIGMAR1SLC18A3CYP1A2CYP2C9CYP2C19
SCHEMBL5578489 0.82 HDAC1 (0.48) HDAC1HDAC6NOTUMSIGMAR1HDAC8
SCHEMBL5592358 0.82 NOTUM (0.50) HDAC1HDAC6NOTUMSIGMAR1SLC18A3

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 767/4885NOTUM 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.