SCHEMBL5578519

SCHEMBL5578519

O=C(c1cccc(F)c1F)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRM2 P08172 2/20 0.45
CHRM3 P20309 2/20 0.45
NOTUM Q6P988 1/20 0.44
DOCK5 Q9H7D0 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CACNA1G O43497 1/20 0.41
DRD2 P14416 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5578710 0.91 KDM4E (0.48) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL5578653 0.90 HDAC1 (0.44) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL5578504 0.89 HDAC1 (0.43) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL5579087 0.88 NOTUM (0.43) KDM4EALDH1A1NOTUMDRD2SIGMAR1
SCHEMBL5578586 0.86 P2RX7 (0.44) NOTUMDRD2PTGDR2MEN1KMT2A
SCHEMBL5578732 0.85 DRD2 (0.48) NOTUMDRD2SIGMAR1PTGDR2
SCHEMBL5578496 0.85 NOTUM (0.46) NOTUMHDAC1HDAC6DRD2PTGDR2
SCHEMBL4893188 0.85 NOTUM (0.43) NOTUMHDAC1HDAC6DRD2PTGDR2
SCHEMBL5578707 0.85 NOTUM (0.43) ALDH1A1HTTTSHRNOTUMHDAC1
SCHEMBL5578564 0.85 DRD2 (0.47) NOTUMDRD2SIGMAR1PTGDR2

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 KDM4E 2407/4885ALDH1A1 634/4885HTT 1591/4885

“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.