SCHEMBL5578816

SCHEMBL5578816

C=C(C)CN1CCC2(CC1)CN(C(=O)c1ccc3c(c1)OCO3)c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 7/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
NOTUM Q6P988 2/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
MAOB P27338 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 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
SCHEMBL14618844 0.85 HDAC1 (0.50) HDAC1HDAC6NOTUMGAA
SCHEMBL5579009 0.84 HPGD (0.58) NPC1RAB9AALDH1A1TSHRLMNA
SCHEMBL5578970 0.83 HDAC1 (0.49) HDAC1HDAC6ALDH1A1TSHRUSP2
SCHEMBL5578576 0.80 HDAC1 (0.47) HDAC1HDAC6ALDH1A1LMNANOTUM
SCHEMBL5578448 0.77 NOTUM (0.48) HDAC1HDAC6NOTUMKMT2A
SCHEMBL5578839 0.76 NOTUM (0.52) HDAC1HDAC6NOTUM
SCHEMBL5578784 0.75 TSHR (0.42) HDAC1HDAC6NPC1RAB9AALDH1A1
SCHEMBL5579351 0.75 NOTUM (0.50) HDAC1HDAC6NOTUM
SCHEMBL5578527 0.74 NOTUM (0.50) HDAC1HDAC6NOTUM
SCHEMBL5579089 0.73 TSHR (0.46) NPC1RAB9AALDH1A1TSHRLMNA

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 767/4885NPC1 113/4885

“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.