SCHEMBL5578719

SCHEMBL5578719

COc1ccc(C(=O)N2CC3(CCN(Cc4ccc(Cl)c(Cl)c4)CC3)c3cc(F)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 2/20 0.49
ADAM17 P78536 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CCR3 P51677 1/20 0.46
TSHR P16473 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 1/20 0.43
CYP3A4 P08684 2/20 0.43
FFAR1 O14842 1/20 0.42
PTGS2 P35354 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
SCHEMBL5782895 0.94 HDAC1 (0.47) MMP1MMP9MMP13ADAM17HDAC1
SCHEMBL5578809 0.89 KMT2A (0.55) HDAC1HDAC6CCR3TSHRCYP2D6
SCHEMBL5578555 0.86 HDAC1 (0.47) HDAC1HDAC6SMN1; SMN2MCHR1
SCHEMBL5578753 0.82 HDAC1 (0.47) HDAC1HDAC6CCR3
SCHEMBL5578540 0.82 SLC18A3 (0.46) MMP9MMP13CYP2D6USP2CYP1A2
SCHEMBL5578902 0.81 NQO2 (0.41) HDAC1HDAC6TSHRCYP2D6USP2
SCHEMBL5578593 0.81 KDM2B (0.48)
SCHEMBL5578451 0.81 KCNH2 (0.46) MMP1MMP9MMP13ADAM17HDAC1
SCHEMBL5579047 0.79 KMT2A (0.44) HDAC1HDAC6SMN1; SMN2
SCHEMBL5578687 0.78 KMT2A (0.48) HDAC1HDAC6CCR3SMN1; SMN2

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 MMP1 3462/4885MMP9 2823/4885MMP13 4326/4885

“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.