SCHEMBL4003496

SCHEMBL4003496

CCCS(=O)(=O)N1CCC(CN)(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.55
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
DPP4 P27487 1/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
NOS2 P35228 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL2701835 0.82 MAOA (0.61) SLC6A9MAOAMAOBTAAR1DPP4
SCHEMBL8279640 0.81 SLC6A9 (0.66) SLC6A9KDM4EHSD17B10
SCHEMBL2701661 0.79 MAOA (0.53) SLC6A9MAOAMAOBTAAR1DPP4
SCHEMBL2702188 0.79 MAOA (0.53) SLC6A9MAOAMAOBTAAR1GAA
SCHEMBL5585246 0.78 SLC6A9 (0.57) SLC6A9GAAPKMMAPTPOLB
SCHEMBL2701656 0.78 GAA (0.53) SLC6A9GAAPKMMAPTPOLB
SCHEMBL14538120 0.78 SLC6A9 (0.57) SLC6A9GAAPKMMAPTPOLB
SCHEMBL5584985 0.78 SLC6A9 (0.67) SLC6A9
SCHEMBL5584907 0.78 SLC6A9 (0.74) SLC6A9LMNA
SCHEMBL3560433 0.77 SLC6A9 (0.65) SLC6A9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684759-A4 4-PHENYL PIPERDINE SULFONYL GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-06-10 EP disclosed
US-20070105902-A1 4-Phenyl piperdine sulfonyl glycine transporter inhibitors MERCK SHARP & DOHME CORP. 2007-05-10 US disclosed
US-20070105902-A1 4-Phenyl piperdine sulfonyl glycine transporter inhibitors MERCK SHARP & DOHME CORP. 2007-05-10 US disclosed
US-20070105902-A1 4-Phenyl piperdine sulfonyl glycine transporter inhibitors MERCK SHARP & DOHME CORP. 2007-05-10 US disclosed
EP-1684759-A2 4-PHENYL PIPERDINE SULFONYL GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2006-08-02 EP disclosed
WO-2005046601-A2 4-PHENYL PIPERDINE SULFONYL GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-05-26 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-20070105902-A1 4-Phenyl piperdine sulfonyl glycine transporter inhibitors SLC1A2, SLC1A1, SLC1A3 SLC6A9 10/4885MAOA 1935/4885MAOB 1440/4885

“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.