SCHEMBL5578902

SCHEMBL5578902

C=CCN1CCC2(CC1)CN(C(=O)c1ccc(OC)cc1)c1ccc(F)cc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.41
PTGER2 P43116 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
LTB4R Q15722 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP2D6 P10635 3/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
TP53 P04637 1/20 0.40
HIF1A Q16665 1/20 0.40
GPR183 P32249 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5579355 0.93 ALDH1A1 (0.41) CYP2D6HDAC1HDAC6TSHRALDH1A1
SCHEMBL5578712 0.91 HDAC1 (0.43) PTGDR2TP53HDAC1HDAC6TSHR
SCHEMBL5578500 0.88 HDAC1 (0.43) CYP2D6CYP1A2HDAC1HDAC6CYP3A4
SCHEMBL5578688 0.88 HDAC1 (0.48) PTGDR2CYP2D6MAPK1HDAC1HDAC6
SCHEMBL5578901 0.87 L3MBTL1 (0.42) TP53ALDH1A1
SCHEMBL5578540 0.86 SLC18A3 (0.46) NQO2PTGER2PDE3BPDE3ALTB4R
SCHEMBL5578593 0.85 KDM2B (0.48)
SCHEMBL14618521 0.85 HDAC1 (0.38) PTGDR2HDAC1HDAC6ALDH1A1
SCHEMBL5579054 0.85 CYP2D6 (0.44) CYP2D6MAPK1USP2CYP1A2HDAC1
SCHEMBL5578862 0.84 ALDH1A1 (0.41) CYP2D6CYP3A4TSHRALDH1A1

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 NQO2 338/4885PTGER2 31/4885PDE3B 86/4885

“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.