SCHEMBL5579550

SCHEMBL5579550

C=CCN1CCC2(CC1)CN(C(=O)c1cccc3ccccc13)c1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NOTUM Q6P988 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
TGM2 P21980 2/20 0.40
AVPR1A P37288 1/20 0.40
USP2 O75604 1/20 0.39
CBX7 O95931 2/20 0.39
CDY1; CDY1B Q9Y6F8 2/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CDYL Q9Y232 2/20 0.38
SLC18A3 Q16572 1/20 0.38
BCHE P06276 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL5578726 0.89 CNR1 (0.38) SIGMAR1TGM2AVPR1AUSP2SLC18A3
SCHEMBL5578690 0.85 HDAC1 (0.46) HDAC1HDAC6NOTUMSIGMAR1SLC18A3
SCHEMBL5578489 0.85 HDAC1 (0.48) HDAC1HDAC6NOTUMSIGMAR1
SCHEMBL5578767 0.85 ATM (0.45) HDAC1HDAC6NOTUMSIGMAR1SLC18A3
SCHEMBL5579248 0.84 AVPR1A (0.53) NOTUMTGM2AVPR1AUSP2MEN1
SCHEMBL5578818 0.83 ALDH1A1 (0.47) HDAC1HDAC6NOTUMSIGMAR1USP2
SCHEMBL5579336 0.83 DRD4 (0.50) HDAC1HDAC6SIGMAR1AVPR1ASLC18A3
SCHEMBL5578434 0.82 HDAC1 (0.46) HDAC1HDAC6NOTUMSIGMAR1SLC18A3
SCHEMBL5578482 0.80 SIGMAR1 (0.43) HDAC1HDAC6NOTUMSIGMAR1SLC18A3
SCHEMBL5578666 0.78 HDAC1 (0.45) HDAC1HDAC6NOTUMSIGMAR1SLC18A3

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
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 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.