SCHEMBL5578885

SCHEMBL5578885

O=C(c1c(F)cccc1F)N1CC2(CCN(Cc3ccc(F)cc3Cl)CC2)c2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
C5AR1 P21730 1/20 0.40
IP6K1 Q92551 2/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP2D6 P10635 1/20 0.39
P2RX7 Q99572 1/20 0.39
OPRM1 P35372 1/20 0.39
ARRB1 P49407 1/20 0.39

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
SCHEMBL5578831 0.95 NOTUM (0.47) NOTUMMEN1KMT2AC5AR1IP6K1
SCHEMBL5578586 0.91 P2RX7 (0.44) NOTUMNPC1RAB9AMEN1KMT2A
SCHEMBL5579087 0.86 NOTUM (0.43) NOTUMMEN1KMT2AC5AR1IP6K1
SCHEMBL5578710 0.85 KDM4E (0.48) NOTUMKDM4EALDH1A1ATMHDAC1
SCHEMBL5578631 0.82 NOTUM (0.44) NOTUMEPHX2KDM4EHDAC1HDAC6
SCHEMBL5578530 0.82 HDAC1 (0.47) NOTUMHDAC1HDAC6OPRM1
SCHEMBL5578514 0.82 NOTUM (0.44) NOTUMMEN1KMT2AEPHX2KDM4E
SCHEMBL5578460 0.81 NOTUM (0.43) NOTUMEPHX2KDM4EALDH1A1HDAC1
SCHEMBL5578827 0.81 NOTUM (0.43) NOTUMEPHX2KDM4EALDH1A1HDAC1
SCHEMBL5578616 0.81 NOTUM (0.46) NOTUMMEN1KMT2AHDAC1HDAC6

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
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

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 NOTUM 3318/4885NPC1 113/4885RAB9A 1593/4885

“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.