SCHEMBL5578804

SCHEMBL5578804

O=C(c1cccc([N+](=O)[O-])c1)N1CC2(CCN(CCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SIGMAR1 Q99720 5/20 0.50
HTR2A P28223 1/20 0.45
OPRM1 P35372 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CRBN Q96SW2 1/20 0.44
HTT P42858 2/20 0.42
TACR1 P25103 1/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL5579046 0.85 RXFP1 (0.57) ALDH1A1SMN1; SMN2CRBNHTTLMNA
SCHEMBL5578648 0.84 POLB (0.52) HDAC1HDAC6ALDH1A1SMN1; SMN2CRBN
SCHEMBL5578456 0.81 HTR2A (0.49) HDAC1HDAC6SIGMAR1HTR2AALDH1A1
SCHEMBL5578971 0.81 SIGMAR1 (0.48) HDAC1HDAC6SIGMAR1HTR2AOPRM1
SCHEMBL17444586 0.78 KMT2A (0.68) SIGMAR1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL10253595 0.77 HDAC1 (0.51) HDAC1HDAC6SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL5579336 0.76 DRD4 (0.50) HDAC1HDAC6SIGMAR1HTR2AOPRM1
SCHEMBL5578789 0.76 HDAC1 (0.52) HDAC1HDAC6SIGMAR1HTR2AOPRM1
SCHEMBL5578900 0.75 KDM4E (0.50) HDAC1HDAC6SIGMAR1OPRM1ALDH1A1
SCHEMBL5578575 0.75 HSD11B1 (0.46) OPRM1CRBNHTTLMNARXFP1

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 HDAC1 885/4885HDAC6 767/4885SIGMAR1 444/4885

“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.