SCHEMBL5578875

SCHEMBL5578875

O=S(=O)(c1ccc(Cl)cc1)N1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
SIGMAR1 Q99720 11/20 0.53
OPRM1 P35372 2/20 0.48
HTR2A P28223 4/20 0.47
HTR2C P28335 4/20 0.47
HTR2B P41595 4/20 0.47
DRD2 P14416 3/20 0.47
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5578499 0.86 SIGMAR1 (0.53) KMT2AMEN1SIGMAR1DRD2
SCHEMBL5578847 0.79 MAPT (0.50) KMT2AMEN1HTR2C
SCHEMBL5254949 0.78 KMT2A (1.00) KMT2AMEN1ALDH1A1
SCHEMBL5578652 0.78 KMT2A (0.47) KMT2AMEN1SIGMAR1HTR2AALDH1A1
SCHEMBL5578664 0.76 DRD1 (0.41) KMT2AMEN1SIGMAR1DRD2ALDH1A1
SCHEMBL18221709 0.76 SIGMAR1 (0.67) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL5578671 0.75 KMT2A (0.36) KMT2AMEN1ALDH1A1
SCHEMBL5579027 0.74 STS (0.48) KMT2AMEN1
SCHEMBL18209386 0.72 SIGMAR1 (0.59) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL5578636 0.71 SIGMAR1 (0.55) SIGMAR1OPRM1HTR2AHTR2CHTR2B

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 KMT2A 1940/4885MEN1 882/4885SIGMAR1 444/4885

“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.