SCHEMBL5578701

SCHEMBL5578701

C=CCN1CCC2(CC1)CN(C(=O)CSc1ccccc1)c1ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
GRM5 P41594 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC18A3 Q16572 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
OPRL1 P41146 1/20 0.36
LMNA P02545 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
SCHEMBL5578688 0.84 HDAC1 (0.48) MAPTSIGMAR1MAPK1SLC18A3PTGDR2
SCHEMBL5579022 0.81 SIGMAR1 (0.38) SIGMAR1SLC18A3PTGDR2LMNA
SCHEMBL5578844 0.81 SIGMAR1 (0.38) SIGMAR1SLC18A3
SCHEMBL5578712 0.80 HDAC1 (0.43) SIGMAR1SLC18A3PTGDR2LMNA
SCHEMBL5579054 0.80 CYP2D6 (0.44) MAPK1HSD17B10ALDH1A1GAA
SCHEMBL5578749 0.80 MAPT (0.41) SMN1; SMN2MAPTSIGMAR1MEN1KMT2A
SCHEMBL5578495 0.79 SIGMAR1 (0.38) SIGMAR1MEN1KMT2ASLC18A3PTGDR2
SCHEMBL5578766 0.79 HDAC1 (0.38) SIGMAR1SLC18A3
SCHEMBL5578483 0.79 PTGDR2 (0.36) SIGMAR1MEN1KMT2ASLC18A3PTGDR2
SCHEMBL5578808 0.78 CYP1A2 (0.34) SIGMAR1SLC18A3PTGDR2OPRL1

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 NPC1 113/4885RAB9A 1593/4885SMN1; SMN2 236/4885

“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.