SCHEMBL5578692

SCHEMBL5578692

O=C(C(c1ccccc1)c1ccccc1)N1CC2(CCN(CCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.52
OPRM1 P35372 2/20 0.52
AGTR2 P50052 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NOTUM Q6P988 2/20 0.44
CHRM3 P20309 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
DRD2 P14416 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
SCHEMBL5578548 0.87 SIGMAR1 (0.49) SIGMAR1HDAC1HDAC6NOTUM
SCHEMBL5578636 0.81 SIGMAR1 (0.55) SIGMAR1OPRM1AGTR2CHRM3HTR2A
SCHEMBL5578806 0.80 SIGMAR1 (0.55) SIGMAR1OPRM1HDAC1HDAC6NOTUM
SCHEMBL5578553 0.80 HDAC1 (0.49) SIGMAR1OPRM1AGTR2HDAC1HDAC6
SCHEMBL5578522 0.80 SIGMAR1 (0.51) SIGMAR1OPRM1HDAC1HDAC6NOTUM
SCHEMBL5578789 0.79 HDAC1 (0.52) SIGMAR1OPRM1HDAC1HDAC6NOTUM
SCHEMBL5578677 0.79 SIGMAR1 (0.50) SIGMAR1OPRM1HDAC1HDAC6NOTUM
SCHEMBL5578900 0.78 KDM4E (0.50) SIGMAR1OPRM1HDAC1HDAC6
SCHEMBL5599645 0.78 NOTUM (0.51) HDAC1HDAC6NOTUM
SCHEMBL11472209 0.77 SIGMAR1 (0.68) SIGMAR1OPRM1HDAC1HDAC6

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 SIGMAR1 444/4885OPRM1 630/4885AGTR2 18/4885

“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.