SCHEMBL5578586

SCHEMBL5578586

O=C(c1cccc(F)c1F)N1CC2(CCN(Cc3ccc(F)cc3Cl)CC2)c2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
NOTUM Q6P988 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
C5AR1 P21730 1/20 0.38
DRD2 P14416 1/20 0.38
EPHX2 P34913 2/20 0.38
DRD1 P21728 1/20 0.37
IP6K1 Q92551 2/20 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
SCHEMBL5579087 0.96 NOTUM (0.43) NOTUMMEN1KMT2APTGDR2C5AR1
SCHEMBL5578885 0.91 NOTUM (0.44) P2RX7NOTUMNPC1RAB9AMEN1
SCHEMBL5578831 0.87 NOTUM (0.47) NOTUMMEN1KMT2AC5AR1EPHX2
SCHEMBL5578519 0.86 KDM4E (0.50) NOTUMMEN1KMT2APTGDR2DRD2
SCHEMBL5578653 0.83 HDAC1 (0.44) NOTUMDRD2
SCHEMBL5578732 0.82 DRD2 (0.48) P2RX7NOTUMPTGDR2DRD2
SCHEMBL5578504 0.82 HDAC1 (0.43) NOTUMMEN1KMT2ADRD2
SCHEMBL5578496 0.82 NOTUM (0.46) P2RX7NOTUMNPC1PTGDR2DRD2
SCHEMBL5578564 0.82 DRD2 (0.47) P2RX7NOTUMPTGDR2DRD2
SCHEMBL5578707 0.82 NOTUM (0.43) P2RX7NOTUMPTGDR2DRD2

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 P2RX7 244/4885NOTUM 3318/4885NPC1 113/4885

“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.