SCHEMBL1104704

SCHEMBL1104704

CC(C)(C)[C@H]1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.37
SLC6A11 P48066 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A13 Q9NSD5 1/20 0.37
APLNR P35414 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NOS2 P35228 1/20 0.35
CYP2D6 P10635 1/20 0.35
SSTR4 P31391 2/20 0.33

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
SCHEMBL842073 1.00 SLC6A1 (0.37) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL14093032 1.00 SLC6A1 (0.37) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL31482164 0.98 SLC6A1 (0.35) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL10129028 0.93 SSTR4 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL14092960 0.93 SSTR4 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL25595886 0.91 SSTR4 (0.38) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27361436 0.91 SSTR4 (0.38) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL23260533 0.86 SSTR4 (0.35) SSTR4
SCHEMBL22433108 0.84 SMN1; SMN2 (0.35) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1104693 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202993-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-06-29 US disclosed
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-04-01 US disclosed
US-8481579-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-07-09 US disclosed
US-8481579-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-07-09 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-06-28 US disclosed
US-8153818-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2012-04-10 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-07-29 US disclosed
US-7718683-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-05-18 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US 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 (8 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-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 SLC6A1 4353/4885SLC6A11 3847/4885TSHR 1047/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 SLC6A1 4791/4885SLC6A11 4711/4885TSHR 3447/4885
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 SLC6A1 4353/4885SLC6A11 3847/4885TSHR 1047/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 SLC6A1 3194/4885SLC6A11 3910/4885TSHR 3613/4885
US-20230202993-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 SLC6A1 1580/4885SLC6A11 1978/4885TSHR 3349/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 SLC6A1 4785/4885SLC6A11 4756/4885TSHR 1082/4885
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 SLC6A1 4353/4885SLC6A11 3847/4885TSHR 1047/4885
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC SLC6A1 4850/4885SLC6A11 4856/4885TSHR 4140/4885

“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.