SCHEMBL5578437

SCHEMBL5578437

O=C(C1CCC1)N1CCC2(CC1)CN(CC1CC1)Cc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.50
KEAP1 Q14145 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 2/20 0.39
TSHR P16473 1/20 0.39
HSD11B1 P28845 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL5578843 0.84 SIGMAR1 (0.49) SIGMAR1KEAP1ALDH1A1
SCHEMBL5578645 0.84 SIGMAR1 (0.49) SIGMAR1ALDH1A1MEN1KMT2AOPRM1
SCHEMBL11939144 0.83 SIGMAR1 (0.48) SIGMAR1KEAP1MEN1OPRM1OPRL1
SCHEMBL5579026 0.82 CYP2C9 (0.47) SIGMAR1ALDH1A1KMT2A
SCHEMBL5578659 0.81 SIGMAR1 (0.46) SIGMAR1ALDH1A1OPRM1OPRL1TSHR
SCHEMBL12935204 0.79 KCNH2 (0.56) SIGMAR1
SCHEMBL5578883 0.78 CYP2D6 (0.49) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5579023 0.76 SIGMAR1 (0.55) SIGMAR1KEAP1OPRL1
SCHEMBL5578733 0.76 SIGMAR1 (0.55) SIGMAR1ALDH1A1OPRM1OPRL1DRD2
SCHEMBL5578841 0.76 SIGMAR1 (0.49) SIGMAR1OPRM1OPRL1

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 444/4885KEAP1 5/4885ALDH1A1 634/4885

“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.