SCHEMBL5578713

SCHEMBL5578713

C=CCN1CCC2(CC1)CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
CRBN Q96SW2 1/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
HSD11B1 P28845 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL5814786 0.97 POLB (0.42) POLBALDH1A1HTTCRBNSLC6A9
SCHEMBL5578510 0.90 HDAC1 (0.39) ALDH1A1HTTHSD11B1MAPTTDP1
SCHEMBL5578648 0.89 POLB (0.52) POLBALDH1A1HTTCRBNRXFP1
SCHEMBL5579054 0.89 CYP2D6 (0.44) ALDH1A1HTTMAPK1HDAC1HDAC6
SCHEMBL5578575 0.87 HSD11B1 (0.46) HTTCRBNSLC6A9SLC6A5HSD11B1
SCHEMBL5578688 0.86 HDAC1 (0.48) MAPTMAPK1HDAC1HDAC6
SCHEMBL5578768 0.86 HDAC1 (0.41) ALDH1A1HTTHSD11B1KDM4EMEN1
SCHEMBL5578557 0.85 GAA (0.41) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL5578712 0.84 HDAC1 (0.43) HDAC1HDAC6
SCHEMBL5578871 0.84 CYP3A4 (0.41) POLBHSD11B1KDM4EMEN1MAPK1

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 7 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
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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 POLB 3703/4885ALDH1A1 634/4885HTT 1591/4885

“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.