SCHEMBL5579055

SCHEMBL5579055

O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)CN(CCc1ccccc1)Cc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.49
AGTR2 P50052 1/20 0.46
OPRM1 P35372 2/20 0.45
CHRM3 P20309 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
CHRM1 P11229 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRL1 P41146 1/20 0.41
DRD2 P14416 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
SCHEMBL5578636 0.90 SIGMAR1 (0.55) SIGMAR1AGTR2OPRM1CHRM3HTR2A
SCHEMBL5578498 0.87 SIGMAR1 (0.48) SIGMAR1CHRM3CHRM1TSHROPRL1
SCHEMBL5578659 0.83 SIGMAR1 (0.46) SIGMAR1OPRM1KDM4ETSHRLMNA
SCHEMBL5578667 0.82 SIGMAR1 (0.47) SIGMAR1OPRM1HTR2BLMNA
SCHEMBL5578553 0.81 HDAC1 (0.49) SIGMAR1AGTR2OPRM1CHRM3TSHR
SCHEMBL5578645 0.80 SIGMAR1 (0.49) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL5578588 0.77 CYP2D6 (0.56) TSHRLMNADRD2
SCHEMBL5578692 0.77 SIGMAR1 (0.52) SIGMAR1AGTR2OPRM1CHRM3HTR2A
SCHEMBL5578879 0.76 SIGMAR1 (0.54) SIGMAR1CHRM3TSHROPRL1
SCHEMBL18209386 0.76 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 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 444/4885AGTR2 18/4885OPRM1 630/4885

“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.