SCHEMBL5578451

SCHEMBL5578451

COc1ccc(C(=O)N2CC3(CCN(CCc4ccccc4)CC3)c3cc(F)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
ADAM17 P78536 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
SLC18A3 Q16572 1/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 1/20 0.44
LMNA P02545 1/20 0.42
CCR3 P51677 1/20 0.42

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
SCHEMBL5578540 0.87 SLC18A3 (0.46) CYP2D6MMP9MMP13CYP1A2SIGMAR1
SCHEMBL5578456 0.85 HTR2A (0.49) KCNH2HDAC1HDAC6ALDH1A1SIGMAR1
SCHEMBL5578902 0.83 NQO2 (0.41) CYP2D6TSHRHDAC1HDAC6ALDH1A1
SCHEMBL5578593 0.83 KDM2B (0.48) OPRM1
SCHEMBL5578809 0.82 KMT2A (0.55) CYP2D6TSHRHDAC1HDAC6ALDH1A1
SCHEMBL5578889 0.81 SIGMAR1 (0.43) HDAC1HDAC6SIGMAR1OPRM1CCR3
SCHEMBL5578719 0.81 MMP1 (0.49) CYP2D6TSHRHDAC1HDAC6MMP1
SCHEMBL5782895 0.79 HDAC1 (0.47) CYP2D6TSHRHDAC1HDAC6MMP1
SCHEMBL5578630 0.77 OPRM1 (0.57) MMP1MMP9MMP13ADAM17SIGMAR1
SCHEMBL4761770 0.77 EPHX2 (0.43) TSHRLMNA

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 KCNH2 90/4885CYP2D6 297/4885TSHR 3350/4885

“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.