SCHEMBL5578768

SCHEMBL5578768

C=CCN1CCC2(CC1)CN(C(=O)c1cccc(Cl)c1)c1ccc(F)cc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NOTUM Q6P988 1/20 0.40
IDO1 P14902 2/20 0.40
HSD11B1 P28845 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5579054 0.92 CYP2D6 (0.44) HDAC1HDAC6HTTALDH1A1CYP2D6
SCHEMBL5578443 0.92 NOTUM (0.40) HDAC1HDAC6NOTUM
SCHEMBL5578500 0.90 HDAC1 (0.43) HDAC1HDAC6NOTUMMEN1KMT2A
SCHEMBL5578688 0.89 HDAC1 (0.48) HDAC1HDAC6CYP2D6MAPK1
SCHEMBL5578805 0.88 HDAC1 (0.40) HDAC1HDAC6ALDH1A1CYP2D6MAPK1
SCHEMBL5578712 0.87 HDAC1 (0.43) HDAC1HDAC6NOTUMLMNA
SCHEMBL5578871 0.87 CYP3A4 (0.41) HDAC1HDAC6HSD11B1SMN1; SMN2KDM4E
SCHEMBL5579022 0.86 SIGMAR1 (0.38) HDAC1HDAC6LMNA
SCHEMBL5578444 0.86 HDAC1 (0.38) HDAC1HDAC6NOTUM
SCHEMBL5578713 0.86 POLB (0.45) HDAC1HDAC6HSD11B1HTTKDM4E

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 4 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
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 HDAC1 885/4885HDAC6 767/4885NOTUM 3318/4885

“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.