SCHEMBL3756970

SCHEMBL3756970

CCN1CC(CC(=O)O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 6/20 0.48
CACNA1H O95180 6/20 0.48
CACNA1I Q9P0X4 6/20 0.48
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
CDC25A P30304 1/20 0.41
EGFR P00533 1/20 0.40
NOTUM Q6P988 1/20 0.39
BRD4 O60885 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL13228209 0.80 CACNA1G (0.42) CACNA1GCACNA1HCACNA1IMTNR1AMTNR1B
SCHEMBL28732543 0.77 EGFR (0.38) CDC25AEGFRNOTUM
SCHEMBL13500492 0.75 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IMTNR1AMTNR1B
SCHEMBL9326653 0.75 PRKACA (0.59) CACNA1GNOTUM
SCHEMBL3959703 0.72 KDM1A (0.43) NOTUM
SCHEMBL3956185 0.72 KDM1A (0.43) NOTUM
SCHEMBL3956182 0.72 KDM1A (0.43) NOTUM
SCHEMBL13227810 0.72 NOTUM (0.50) CACNA1GCACNA1HCACNA1IMTNR1AMTNR1B
SCHEMBL11984354 0.70 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IMTNR1AMTNR1B
SCHEMBL19852201 0.70 SLC6A2 (0.53)

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-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D CACNA1G 1641/4885CACNA1H 1731/4885CACNA1I 1166/4885

“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.