SCHEMBL5578710

SCHEMBL5578710

O=C(c1c(F)cccc1F)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
NOTUM Q6P988 1/20 0.47
DOCK5 Q9H7D0 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CACNA1G O43497 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL5578519 0.91 KDM4E (0.50) KDM4EALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL5578530 0.89 HDAC1 (0.47) NOTUMHDAC1HDAC6SIGMAR1
SCHEMBL5578616 0.88 NOTUM (0.46) NOTUMHDAC1HDAC6SIGMAR1
SCHEMBL5578827 0.88 NOTUM (0.43) KDM4EALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL5578460 0.88 NOTUM (0.43) KDM4EALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL5578831 0.87 NOTUM (0.47) KDM4EALDH1A1NOTUMHDAC1HDAC6
SCHEMBL5578631 0.85 NOTUM (0.44) KDM4ESMN1; SMN2CHRM2CHRM3NOTUM
SCHEMBL5578885 0.85 NOTUM (0.44) KDM4EALDH1A1NOTUMHDAC1HDAC6
SCHEMBL5578514 0.85 NOTUM (0.44) KDM4EALDH1A1NOTUMHDAC1HDAC6
SCHEMBL5578755 0.83 NOTUM (0.47) ALDH1A1TSHRHTTNOTUMHDAC1

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 KDM4E 2407/4885ALDH1A1 634/4885TSHR 3350/4885

“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.