SCHEMBL6176934

SCHEMBL6176934

COc1ccc2ncn(C[C@H](C)O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PDE10A Q9Y233 16/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.37
PDE2A O00408 1/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE11A Q9HCR9 1/20 0.36
PDE7B Q9NP56 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL6176928 0.79 ADORA2A (0.44) ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL6209132 0.79 ADORA2A (0.44) ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL6176939 0.74 PDE10A (0.40) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL7721294 0.74 PDE10A (0.44) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL6177911 0.73 MEN1 (0.49) ADORA2AADORA1LMNASMN1; SMN2IDO1
SCHEMBL29424702 0.72 CSF1R (0.41) PDE10ASMN1; SMN2
SCHEMBL22533558 0.72 CSF1R (0.41) PDE10ASMN1; SMN2
SCHEMBL734408 0.72 PDE10A (0.48) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL29663746 0.72 PDE10A (0.48) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL29480784 0.68 APAF1 (0.39)

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
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 US disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS ADORA2A 4495/4885ADORA1 3559/4885PDE10A 3984/4885

“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.