SCHEMBL5578636

SCHEMBL5578636

O=C(C(c1ccccc1)c1ccccc1)N1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.55
OPRM1 P35372 2/20 0.50
AGTR2 P50052 1/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 4/20 0.46
DRD2 P14416 2/20 0.46
OPRL1 P41146 3/20 0.46
CHRM3 P20309 1/20 0.44
OPRK1 P41145 1/20 0.43

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
SCHEMBL5579055 0.90 SIGMAR1 (0.49) SIGMAR1OPRM1AGTR2HTR2AHTR2C
SCHEMBL5578879 0.87 SIGMAR1 (0.54) SIGMAR1OPRL1CHRM3OPRK1
SCHEMBL18209386 0.85 SIGMAR1 (0.59) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL5578692 0.81 SIGMAR1 (0.52) SIGMAR1OPRM1AGTR2HTR2AHTR2C
SCHEMBL5578733 0.80 SIGMAR1 (0.55) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL5578840 0.79 DPP9 (0.44)
SCHEMBL18221709 0.77 SIGMAR1 (0.67) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL5578553 0.77 HDAC1 (0.49) SIGMAR1OPRM1AGTR2CHRM3
SCHEMBL5578976 0.76 ATM (0.46)
SCHEMBL5578498 0.76 SIGMAR1 (0.48) SIGMAR1OPRL1CHRM3

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 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.