SCHEMBL5578889

SCHEMBL5578889

O=C(c1ccccc1Cl)N1CC2(CCN(CCc3ccccc3)CC2)c2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.43
OPRM1 P35372 3/20 0.43
CCR3 P51677 1/20 0.42
PARK7 Q99497 1/20 0.41
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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 0.88 HDAC1 (0.52) SIGMAR1OPRM1DRD2HTR2AHTR2C
SCHEMBL5578618 0.88 SIGMAR1 (0.46) SIGMAR1DRD2
SCHEMBL5814543 0.87 SIGMAR1 (0.46) SIGMAR1DRD2
SCHEMBL5578571 0.85 NOTUM (0.43)
SCHEMBL5578753 0.84 HDAC1 (0.47) SIGMAR1CCR3HDAC1HDAC6
SCHEMBL5578880 0.84 KDM2B (0.42) OPRM1HDAC1HDAC6
SCHEMBL5578766 0.84 HDAC1 (0.38) SIGMAR1HDAC1HDAC6
SCHEMBL14366293 0.83 OPRM1 (0.45) SIGMAR1OPRM1
SCHEMBL5578451 0.81 KCNH2 (0.46) SIGMAR1OPRM1CCR3HDAC1HDAC6
SCHEMBL5578456 0.80 HTR2A (0.49) SIGMAR1HTR2AHDAC1HDAC6

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 630/4885CCR3 1022/4885

“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.