SCHEMBL5578818

SCHEMBL5578818

C=CCN1CCC2(CC1)CN(C(=O)c1ccccc1OC)c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NOTUM Q6P988 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
HTT P42858 1/20 0.40
SLC18A3 Q16572 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5578862 0.90 ALDH1A1 (0.41) ALDH1A1SIGMAR1HTTSLC18A3TSHR
SCHEMBL5578489 0.85 HDAC1 (0.48) NOTUMHDAC1HDAC6SIGMAR1TP53
SCHEMBL5578690 0.85 HDAC1 (0.46) NOTUMHDAC1HDAC6SIGMAR1HTT
SCHEMBL5578615 0.84 HTT (0.55) ALDH1A1NOTUMHTTSMN1; SMN2POLB
SCHEMBL5579550 0.83 HDAC1 (0.44) NOTUMHDAC1HDAC6SIGMAR1SLC18A3
SCHEMBL5578767 0.82 ATM (0.45) NOTUMHDAC1HDAC6SIGMAR1SLC18A3
SCHEMBL5578482 0.81 SIGMAR1 (0.43) NOTUMHDAC1HDAC6SIGMAR1SLC18A3
SCHEMBL5578654 0.80 CPS1 (0.39) ALDH1A1SIGMAR1TP53GAA
SCHEMBL5578434 0.79 HDAC1 (0.46) NOTUMHDAC1HDAC6SIGMAR1SLC18A3
SCHEMBL5578666 0.78 HDAC1 (0.45) ALDH1A1NOTUMHDAC1HDAC6SIGMAR1

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 ALDH1A1 634/4885NOTUM 3318/4885HDAC1 885/4885

“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.