SCHEMBL5579336

SCHEMBL5579336

O=C(c1cccc2ccccc12)N1CC2(CCN(CCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.50
SIGMAR1 Q99720 8/20 0.48
OPRM1 P35372 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
AVPR1A P37288 1/20 0.46
DRD3 P35462 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SLC18A3 Q16572 1/20 0.42

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
SCHEMBL5578789 0.86 HDAC1 (0.52) SIGMAR1OPRM1HDAC1HDAC6HTR2A
SCHEMBL5579248 0.83 AVPR1A (0.53) AVPR1A
SCHEMBL5579550 0.83 HDAC1 (0.44) SIGMAR1HDAC1HDAC6AVPR1ASLC18A3
SCHEMBL5578900 0.79 KDM4E (0.50) SIGMAR1OPRM1HDAC1HDAC6
SCHEMBL5578806 0.77 SIGMAR1 (0.55) SIGMAR1OPRM1HDAC1HDAC6SLC18A3
SCHEMBL5578692 0.77 SIGMAR1 (0.52) SIGMAR1OPRM1HDAC1HDAC6HTR2A
SCHEMBL5578522 0.76 SIGMAR1 (0.51) SIGMAR1OPRM1HDAC1HDAC6HTR2A
SCHEMBL5578804 0.76 HDAC1 (0.51) SIGMAR1OPRM1HDAC1HDAC6HTR2A
SCHEMBL5578677 0.76 SIGMAR1 (0.50) SIGMAR1OPRM1HDAC1HDAC6
SCHEMBL5578889 0.75 SIGMAR1 (0.43) SIGMAR1OPRM1HDAC1HDAC6HTR2A

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 7 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
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 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 DRD4 243/4885SIGMAR1 444/4885OPRM1 630/4885

“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.