SCHEMBL5578633

SCHEMBL5578633

C=CCSc1ncccc1C(=O)N1CC2(CCN(CC=C)CC2)c2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKT1 P31749 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HSD11B1 P28845 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL5578550 0.91 KMT2A (0.39) AKT1KDM4EMEN1MAPTKMT2A
SCHEMBL5579065 0.87 AKT1 (0.34) AKT1SIGMAR1HDAC1HDAC6PTGDR2
SCHEMBL5578591 0.86 NOTUM (0.34) CYP2C19AKT1POLBMAPTKMT2A
SCHEMBL5578844 0.82 SIGMAR1 (0.38) SIGMAR1HDAC1HDAC6SLC18A3
SCHEMBL4890379 0.81 P2RX7 (0.39) SIGMAR1HDAC1HDAC6PTGDR2SLC18A3
SCHEMBL5578766 0.81 HDAC1 (0.38) SIGMAR1HDAC1HDAC6HSD11B1SLC18A3
SCHEMBL5578483 0.81 PTGDR2 (0.36) KDM4EMEN1KMT2ASIGMAR1HDAC1
SCHEMBL5579022 0.80 SIGMAR1 (0.38) SIGMAR1HDAC1HDAC6PTGDR2SLC18A3
SCHEMBL5578862 0.79 ALDH1A1 (0.41) CYP3A4KMT2ASIGMAR1HSD11B1SLC18A3
SCHEMBL5578726 0.79 CNR1 (0.38) SIGMAR1PTGDR2SLC18A3

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 CYP1A2 408/4885CYP3A4 1137/4885CYP2C9 818/4885

“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.