SCHEMBL5578647

SCHEMBL5578647

C=CCN1CCC2(CC1)CN(C(=O)N1CCOCC1)c1ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
AKR1C3 P42330 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
CNR1 P21554 1/20 0.35
PKM P14618 1/20 0.34
AKT1 P31749 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRB2 P47870 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL5578495 0.91 SIGMAR1 (0.38) PTGDR2AKT1SIGMAR1
SCHEMBL5578435 0.84 CTSS (0.43) CTSSAKR1C3GABRA1GABRA3GABRB2
SCHEMBL5578712 0.82 HDAC1 (0.43) PTGDR2SIGMAR1
SCHEMBL5579022 0.81 SIGMAR1 (0.38) PTGDR2SIGMAR1
SCHEMBL5578483 0.80 PTGDR2 (0.36) PTGDR2SIGMAR1
SCHEMBL5578688 0.80 HDAC1 (0.48) PTGDR2SIGMAR1
SCHEMBL14366301 0.79 OPRM1 (0.38) CTSSPTGDR2SIGMAR1
SCHEMBL5579054 0.79 CYP2D6 (0.44)
SCHEMBL5578655 0.79 HDAC1 (0.36) PTGDR2AKT1SIGMAR1
SCHEMBL5578497 0.79 ALDH1A1 (0.41)

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
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 CTSS 2731/4885AKR1C3 87/4885PTGDR2 80/4885

“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.