SCHEMBL5579054

SCHEMBL5579054

C=CCN1CCC2(CC1)CN(C(=O)c1cccc(F)c1)c1ccc(F)cc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.44
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5578688 0.93 HDAC1 (0.48) CYP2D6MAPK1HDAC1HDAC6TSHR
SCHEMBL5578768 0.92 HDAC1 (0.41) CYP2D6HTTMAPK1HDAC1HDAC6
SCHEMBL5579022 0.92 SIGMAR1 (0.38) HDAC1HDAC6
SCHEMBL5578712 0.91 HDAC1 (0.43) HDAC1HDAC6TSHR
SCHEMBL5578871 0.91 CYP3A4 (0.41) CYP2D6CYP3A4MAPK1HDAC1HDAC6
SCHEMBL5578805 0.90 HDAC1 (0.40) CYP2D6HSD17B10CYP3A4MAPK1HDAC1
SCHEMBL5578713 0.89 POLB (0.45) HTTMAPK1HDAC1HDAC6ALDH1A1
SCHEMBL14618521 0.88 HDAC1 (0.38) GAAHTTHDAC1HDAC6ALDH1A1
SCHEMBL5578443 0.87 NOTUM (0.40) HDAC1HDAC6
SCHEMBL5578500 0.87 HDAC1 (0.43) CYP2D6CYP3A4HDAC1HDAC6TSHR

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 CYP2D6 297/4885HSD17B10 2153/4885CYP3A4 1137/4885

“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.