SCHEMBL2797137

SCHEMBL2797137

CN(CC(=O)O)C(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
APP P05067 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
TSHR P16473 2/20 0.51
PLOD2 O00469 1/20 0.50
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47

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
SCHEMBL24970247 0.87 HTT (0.52) HTTGAAALDH1A1APPHCAR3
SCHEMBL27670331 0.87 HTT (0.55) HTTGAAALDH1A1APPHCAR3
SCHEMBL9763463 0.85 HTT (0.56) HTTGAAALDH1A1APPHCAR3
SCHEMBL30476608 0.83 HTT (0.63) HTTGAAALDH1A1APPHCAR3
SCHEMBL2111661 0.83 HTT (0.63) HTTGAAALDH1A1APPHCAR3
Hydrochloric Acid SCHEMBL30055763 0.82 HTT (0.61) HTTGAAALDH1A1APPHCAR3
SCHEMBL27739216 0.82 ALDH1A1 (0.55) HTTGAAALDH1A1APPHCAR3
SCHEMBL9458366 0.81 GAA (0.68) HTTGAAALDH1A1APPHCAR3
SCHEMBL14855190 0.81 HTT (0.61) HTTGAAALDH1A1APPHCAR3
Hydrogen Peroxide SCHEMBL28248196 0.81 ALDH1A1 (0.62) HTTGAAALDH1A1APPHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355550-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM ALTER DOMUS (US) LLC 2023-11-09 US disclosed
US-11753378-B2 Ketamine compounds and processes for making and using them ZEVRA THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20220348544-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM ALTER DOMUS (US) LLC 2022-11-03 US disclosed
US-9511060-B2 Non-flushing niacin analogues, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2016-12-06 US disclosed
US-20160151343-A1 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE 2016-06-02 US disclosed
EP-2054386-B1 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TUFTS COLLEGE (US) 2014-10-08 EP disclosed
US-8377971-B2 Non-flushing niacin analogues, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-02-19 US disclosed
US-20110065794-A1 Wrinkle-preventing and improving composition SHISEIDO COMPANY, LTD. (JP) 2011-03-17 US disclosed
US-20100168468-A1 WRINKLE-PREVENTING AND IMPROVING COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-07-01 US disclosed
US-20090312355-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2009-12-17 US disclosed
EP-1908454-A1 WRINKLE-PREVENTIVE/AMELIORATING AGENT SHISEIDO COMPANY, LTD. (JP) 2008-04-09 EP 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 (7 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-11753378-B2 Ketamine compounds and processes for making and using them OPRK1, GRIK3, GRIN3B HTT 1021/4885GAA 2960/4885ALDH1A1 3239/4885
US-20090312355-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof SLC33A1, CHLSN, APOB HTT 49/4885GAA 2258/4885ALDH1A1 1689/4885
US-20160151343-A1 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF SLC33A1, CHLSN, APOB HTT 49/4885GAA 2241/4885ALDH1A1 1680/4885
US-20230355550-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM OPRK1, GRIK3, GRIN3B HTT 1021/4885GAA 2960/4885ALDH1A1 3239/4885
US-20220348544-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM OPRK1, GRIK3, GRIN3B HTT 1021/4885GAA 2960/4885ALDH1A1 3239/4885
US-20100168468-A1 WRINKLE-PREVENTING AND IMPROVING COMPOSITION COL1A1, COL2A1, COL14A1 HTT 784/4885GAA 2177/4885ALDH1A1 2131/4885
US-20110065794-A1 Wrinkle-preventing and improving composition COL1A1, COL2A1, COL14A1 HTT 784/4885GAA 2177/4885ALDH1A1 2131/4885

“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.