SCHEMBL5578645

SCHEMBL5578645

O=C(C1CCC1)N1CCC2(CC1)CN(CCc1ccccc1)Cc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.49
ALDH1A1 P00352 2/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
OPRM1 P35372 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
USP2 O75604 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
SCHEMBL5578733 0.90 SIGMAR1 (0.55) SIGMAR1ALDH1A1BLMOPRM1HTR2A
SCHEMBL5578843 0.86 SIGMAR1 (0.49) SIGMAR1ALDH1A1BLM
SCHEMBL5578437 0.84 SIGMAR1 (0.50) SIGMAR1ALDH1A1KMT2AOPRM1MEN1
SCHEMBL5578865 0.81 HTT (0.47) SIGMAR1ALDH1A1BLMKDM4EKMT2A
SCHEMBL5578667 0.81 SIGMAR1 (0.47) SIGMAR1ALDH1A1KMT2AOPRM1MEN1
SCHEMBL5579055 0.80 SIGMAR1 (0.49) SIGMAR1KDM4EOPRM1TSHRHTR2A
SCHEMBL5578522 0.77 SIGMAR1 (0.51) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL5578588 0.77 CYP2D6 (0.56) ALDH1A1KMT2AMEN1TSHRUSP2
SCHEMBL5579023 0.76 SIGMAR1 (0.55) SIGMAR1
SCHEMBL18209386 0.75 SIGMAR1 (0.59) SIGMAR1OPRM1HTR2AHTR2CHTR2B

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 444/4885ALDH1A1 634/4885BLM 480/4885

“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.