SCHEMBL5578575

SCHEMBL5578575

O=C(c1cccc([N+](=O)[O-])c1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
CRBN Q96SW2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MGLL Q99685 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
SCHEMBL5578457 0.90 HSD11B1 (0.43) HSD11B1OPRM1OPRK1OPRL1HTT
SCHEMBL5578998 0.90 OPRM1 (0.44) OPRM1OPRK1OPRL1HTT
SCHEMBL5579306 0.87 HDAC1 (0.48) OPRM1OPRK1OPRL1
SCHEMBL5578713 0.87 POLB (0.45) HSD11B1CRBNRXFP1SLC6A9SLC6A5
SCHEMBL5578985 0.86 KDM2B (0.44) HSD11B1OPRM1OPRK1OPRL1HTT
SCHEMBL5578674 0.85 ALDH1A1 (0.43) OPRM1OPRK1OPRL1HTT
SCHEMBL5578544 0.85 SIGMAR1 (0.47) OPRM1OPRK1OPRL1
SCHEMBL5579045 0.85 OPRM1 (0.44) HSD11B1OPRM1OPRK1OPRL1LMNA
SCHEMBL5578473 0.84 OPRM1 (0.44) HSD11B1OPRM1OPRK1OPRL1
SCHEMBL5578669 0.84 OPRM1 (0.40) OPRM1OPRK1OPRL1

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
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 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 HSD11B1 308/4885CRBN 3646/4885RXFP1 130/4885

“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.