SCHEMBL5578604

SCHEMBL5578604

C=CCN1CCC2(CC1)CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
P2RY1 P47900 1/20 0.34
GPR183 P32249 1/20 0.34
PDE4B Q07343 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
NOTUM Q6P988 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
RIPK1 Q13546 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP3A4 P08684 1/20 0.32
VNN1 O95497 1/20 0.32

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
SCHEMBL5578712 0.88 HDAC1 (0.43) HDAC1HDAC6SLC18A3SIGMAR1PTGDR2
SCHEMBL5578629 0.86 TSHR (0.40) CYP3A4
SCHEMBL5578500 0.86 HDAC1 (0.43) HDAC1HDAC6SLC18A3SIGMAR1NOTUM
SCHEMBL5578717 0.86 OPRM1 (0.40) HDAC1HDAC6SIGMAR1OPRD1OPRK1
SCHEMBL5578871 0.86 CYP3A4 (0.41) HDAC1HDAC6SIGMAR1CYP3A4
SCHEMBL14618521 0.85 HDAC1 (0.38) HDAC1HDAC6SLC18A3SIGMAR1PTGDR2
SCHEMBL5579054 0.85 CYP2D6 (0.44) HDAC1HDAC6CYP3A4
SCHEMBL5578443 0.84 NOTUM (0.40) HDAC1HDAC6SLC18A3SIGMAR1PTGDR2
SCHEMBL5578688 0.84 HDAC1 (0.48) HDAC1HDAC6SLC18A3SIGMAR1PTGDR2
SCHEMBL5578768 0.84 HDAC1 (0.41) HDAC1HDAC6NOTUM

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 6 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
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 767/4885SLC18A3 2869/4885

“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.