SCHEMBL5578631

SCHEMBL5578631

O=C(c1c(F)cccc1F)N1CC2(CCN(Cc3cccs3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
DRD4 P21917 5/20 0.41
DRD3 P35462 4/20 0.41
DRD5 P21918 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD2 P14416 3/20 0.38
EPHX2 P34913 2/20 0.37
F10 P00742 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD1 P21728 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL5578710 0.85 KDM4E (0.48) NOTUMSIGMAR1HDAC1HDAC6CHRM2
SCHEMBL5578460 0.85 NOTUM (0.43) NOTUMDRD4SIGMAR1HDAC1HDAC6
SCHEMBL5578831 0.84 NOTUM (0.47) NOTUMSIGMAR1HDAC1HDAC6EPHX2
SCHEMBL5578530 0.84 HDAC1 (0.47) NOTUMSIGMAR1HDAC1HDAC6DRD2
SCHEMBL5578827 0.83 NOTUM (0.43) NOTUMDRD4HDAC1HDAC6CHRM2
SCHEMBL5578514 0.82 NOTUM (0.44) NOTUMHDAC1HDAC6DRD2EPHX2
SCHEMBL5578885 0.82 NOTUM (0.44) NOTUMHDAC1HDAC6EPHX2KDM4E
SCHEMBL5578650 0.81 NOTUM (0.46) NOTUMHDAC1HDAC6DRD2EPHX2
SCHEMBL5578616 0.81 NOTUM (0.46) NOTUMDRD4SIGMAR1HDAC1HDAC6
SCHEMBL5578755 0.80 NOTUM (0.47) NOTUMDRD4SIGMAR1HDAC1HDAC6

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 5 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

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 NOTUM 3318/4885DRD4 243/4885DRD3 141/4885

“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.