SCHEMBL5578491

SCHEMBL5578491

O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)CN(Cc1cccc3c1OCO3)c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HSD11B1 P28845 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL5578664 0.81 DRD1 (0.41) GLRA3GLRBSMN1; SMN2MEN1KMT2A
SCHEMBL5578893 0.78 HDAC1 (0.46) SMN1; SMN2POLBMEN1KMT2ACYP2D6
SCHEMBL5578796 0.78 SMN1; SMN2 (0.43) SMN1; SMN2POLBTSHRCYP2C19HDAC1
SCHEMBL5579057 0.77 HDAC1 (0.48) SMN1; SMN2MEN1KMT2APKMHCRTR1
SCHEMBL5578556 0.76 HDAC1 (0.43) SMN1; SMN2MEN1KMT2APKMHCRTR1
SCHEMBL5578870 0.75 HCRTR1 (0.43) POLBMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5779729 0.68 DRD2 (0.36) SMN1; SMN2POLBMEN1KMT2APKM
SCHEMBL5578492 0.67 HSD11B1 (0.39) SMN1; SMN2POLBMEN1KMT2ATSHR
SCHEMBL5578474 0.63 SMN1; SMN2 (0.51) SMN1; SMN2POLBMEN1KMT2APKM
SCHEMBL5307153 0.62 SMN1; SMN2 (0.79) SMN1; SMN2POLBPKMTSHRCYP1A2

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 GLRA3 1142/4885GLRB 967/4885SMN1; SMN2 236/4885

“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.