SCHEMBL5578844

SCHEMBL5578844

C=CCN1CCC2(CC1)CN(C(=O)c1ccccc1F)c1ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
SLC18A3 Q16572 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4890379 0.92 P2RX7 (0.39) SIGMAR1SLC18A3HDAC1HDAC6
SCHEMBL5578483 0.92 PTGDR2 (0.36) SIGMAR1SLC18A3HDAC1HDAC6
SCHEMBL5578797 0.91 OPRD1 (0.39) SIGMAR1HDAC1HDAC6HTT
SCHEMBL5579022 0.91 SIGMAR1 (0.38) SIGMAR1SLC18A3HDAC1HDAC6
SCHEMBL5578766 0.90 HDAC1 (0.38) SIGMAR1SLC18A3HDAC1HDAC6
SCHEMBL5578596 0.90 NOTUM (0.46) SIGMAR1HDAC1HDAC6HTT
SCHEMBL5578690 0.90 HDAC1 (0.46) SIGMAR1SLC18A3HDAC1HDAC6HTT
SCHEMBL5578726 0.89 CNR1 (0.38) SIGMAR1SLC18A3
SCHEMBL5578654 0.89 CPS1 (0.39) SIGMAR1
SCHEMBL5578862 0.89 ALDH1A1 (0.41) SIGMAR1SLC18A3HTT

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 4 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 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 SIGMAR1 444/4885SLC18A3 2869/4885HDAC1 885/4885

“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.