SCHEMBL5578886

SCHEMBL5578886

CCCCN1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
WDR5 P61964 1/20 0.38
HSD11B1 P28845 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL5578456 0.87 HTR2A (0.49) SLC18A3SIGMAR1HDAC1HDAC6MAPT
SCHEMBL5578457 0.86 HSD11B1 (0.43) SIGMAR1HDAC1HDAC6TDP1MAPT
SCHEMBL5578510 0.85 HDAC1 (0.39) SLC18A3SIGMAR1ATMHDAC1HDAC6
SCHEMBL5578540 0.85 SLC18A3 (0.46) SLC18A3SIGMAR1
SCHEMBL5578555 0.82 HDAC1 (0.47) SIGMAR1HDAC1HDAC6SMN1; SMN2KCNJ1
SCHEMBL5579047 0.81 KMT2A (0.44) MEN1KMT2AHDAC1HDAC6SMN1; SMN2
SCHEMBL5616029 0.81 SLC18A3 (0.39) SLC18A3SIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL5814786 0.81 POLB (0.42) HDAC1HDAC6TDP1MAPTHTT
SCHEMBL5578618 0.78 SIGMAR1 (0.46) SLC18A3SIGMAR1
SCHEMBL5578575 0.77 HSD11B1 (0.46) HTTHSD11B1LMNA

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 SLC18A3 2869/4885SIGMAR1 444/4885ATM 2441/4885

“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.