SCHEMBL5578602

SCHEMBL5578602

O=C(c1c(F)cccc1F)N1CC2(CCN(CC3CC=CCC3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
NOTUM Q6P988 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL5578854 0.88 NOTUM (0.46) NOTUMEPHX2CYP2D6
SCHEMBL5578595 0.88 NOTUM (0.46) NOTUMEPHX2
SCHEMBL5579044 0.88 NOTUM (0.45) NOTUM
SCHEMBL5578650 0.83 NOTUM (0.46) NOTUMEPHX2CYP2D6
SCHEMBL5578948 0.80 NOTUM (0.41) NOTUMEPHX2CYP2D6
SCHEMBL5578710 0.79 KDM4E (0.48) NOTUMKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL4884630 0.78 NOTUM (0.47) NOTUMEPHX2
SCHEMBL5578755 0.78 NOTUM (0.47) NOTUMALDH1A1GAATSHRHTT
SCHEMBL5578912 0.78 NOTUM (0.49) NOTUMEPHX2
SCHEMBL5578831 0.78 NOTUM (0.47) LMNANOTUMKDM4EMEN1KMT2A

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 LMNA 471/4885NOTUM 3318/4885KDM4E 2407/4885

“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.