SCHEMBL12028795

SCHEMBL12028795

CC(C)C(N)C(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
DPP4 P27487 5/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
LAP3 P28838 1/20 0.36
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL12420361 1.00 SLC7A5 (0.50) SLC7A5ALDH1A1MAPTPTGS1DPP4
SCHEMBL14884433 1.00 SLC7A5 (0.50) SLC7A5ALDH1A1MAPTPTGS1DPP4
SCHEMBL24996455 0.84 SLC7A5 (0.40) SLC7A5ALDH1A1MAPTPTGS1DPP4
SCHEMBL23651537 0.84 SLC7A5 (0.40) SLC7A5ALDH1A1MAPTPTGS1DPP4
SCHEMBL20830304 0.82 SLC7A5 (0.35) SLC7A5
SCHEMBL25015391 0.81 SLC7A5 (0.36) SLC7A5ALDH1A1MAPTPTGS1DPP4
SCHEMBL17789296 0.81 SLC7A5 (0.36) SLC7A5ALDH1A1MAPTPTGS1DPP4
SCHEMBL25015389 0.81 SLC7A5 (0.36) SLC7A5ALDH1A1MAPTPTGS1DPP4
SCHEMBL24782023 0.81 SLC7A5 (0.48) SLC7A5ALDH1A1MAPTPTGS1DPP4
SCHEMBL19523358 0.81 SLC7A5 (0.36) SLC7A5ALDH1A1MAPTPTGS1DPP4

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 US disclosed
US-20230158102-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION PHARMA MAR, S.A. (ES) 2023-05-25 US disclosed
US-20230158104-A1 COMPOUNDS FOR USE IN AUTOIMMUNE CONDITIONS PHARMA MAR, S.A. (ES) 2023-05-25 US disclosed
US-20230158104-A1 COMPOUNDS FOR USE IN AUTOIMMUNE CONDITIONS PHARMA MAR, S.A. (ES) 2023-05-25 US disclosed
US-20230159594-A1 COMPOUNDS FOR USE IN VIRAL INFECTIONS PHARMA MAR, S.A. (ES) 2023-05-25 US disclosed
US-20230159594-A1 COMPOUNDS FOR USE IN VIRAL INFECTIONS PHARMA MAR, S.A. (ES) 2023-05-25 US disclosed
US-20110306586-A1 NMDA Receptor Modulators and Uses Thereof NAUREX, INC. 2011-12-15 US disclosed
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. 2011-11-24 US disclosed
US-7951789-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7902202-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-20090238790-A2 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections IDENIX PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
US-7582649-B2 Oral administration of a dosage of 3-(3-amino-2-(R)-hydroxy-propyl)-1-(4-fluoro-phenyl)-8-(8-methyl-naphthalen-1-ylmethyl)-1,3,8-triaza-spiro[4.5]decan-4-one and a carrier; opiod receptor-like-1 G-protein coupled receptor inhibitors; psychological disorders; nervous system disorders; antidiabetic agents JANSSEN PHARMACEUTICA, NV (BE) 2009-09-01 US disclosed
US-20090169504-A1 Compounds and Pharmaceutical compositions for the treatment of Viral infections IDENIX PHARMACEUTICALS, INC 2009-07-02 US disclosed
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS BATTISTA KATHLEEN 2009-05-14 US disclosed
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS BATTISTA KATHLEEN 2009-05-14 US disclosed
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. 2008-11-20 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 (12 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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C SLC7A5 1146/4885ALDH1A1 3847/4885MAPT 298/4885
US-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 SLC7A5 456/4885ALDH1A1 473/4885MAPT 4495/4885
US-20090169504-A1 Compounds and Pharmaceutical compositions for the treatment of Viral infections HAVCR2, PYGL, GYS2 SLC7A5 2473/4885ALDH1A1 2922/4885MAPT 2374/4885
US-20230158102-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION ACE, SARS1, ACE2 SLC7A5 1120/4885ALDH1A1 1809/4885MAPT 3912/4885
US-20230159594-A1 COMPOUNDS FOR USE IN VIRAL INFECTIONS OAT, MAVS, HAVCR2 SLC7A5 1603/4885ALDH1A1 607/4885MAPT 380/4885
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections HAVCR2, PYGL, GYS2 SLC7A5 2473/4885ALDH1A1 2922/4885MAPT 2374/4885
US-20090238790-A2 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections HAVCR2, PYGL, GYS2 SLC7A5 2473/4885ALDH1A1 2922/4885MAPT 2374/4885
US-20110306586-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A SLC7A5 838/4885ALDH1A1 3594/4885MAPT 737/4885
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS OPRL1, ADRA1D, OPRD1 SLC7A5 3178/4885ALDH1A1 175/4885MAPT 167/4885
US-20230158104-A1 COMPOUNDS FOR USE IN AUTOIMMUNE CONDITIONS SSB, HLA-DRB1, TPMT SLC7A5 2637/4885ALDH1A1 205/4885MAPT 2479/4885
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 SLC7A5 456/4885ALDH1A1 473/4885MAPT 4495/4885
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 SLC7A5 2473/4885ALDH1A1 2922/4885MAPT 2374/4885

“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.