SCHEMBL4763733

SCHEMBL4763733

CNC(C)(C)C(=O)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 2/20 0.37
MMP8 P22894 1/20 0.37
PRKCA P17252 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RAB9A P51151 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
SCHEMBL19359961 0.86 PRKCA (0.35) MMP8PRKCA
SCHEMBL18924771 0.82 TSHR (0.39) TSHRALDH1A1MMP8PRKCASMN1; SMN2
SCHEMBL12761590 0.82 TSHR (0.39) TSHRALDH1A1MMP8PRKCASMN1; SMN2
SCHEMBL13492092 0.81 EGFR (0.36) MMP8PRKCA
SCHEMBL23065063 0.80 SMN1; SMN2 (0.40) TSHRALDH1A1MMP8PRKCASMN1; SMN2
SCHEMBL806944 0.79 MMP8 (0.38) TSHRALDH1A1MMP8PRKCASMN1; SMN2
SCHEMBL1785988 0.78 TSHR (0.46) TSHRALDH1A1MMP8PRKCASMN1; SMN2
SCHEMBL685935 0.78 PRKCA (0.55) TSHRALDH1A1MMP8PRKCASMN1; SMN2
SCHEMBL7945587 0.78 TSHR (0.46) TSHRALDH1A1MMP8PRKCASMN1; SMN2
SCHEMBL12310627 0.77 SMN1; SMN2 (0.45) TSHRALDH1A1MMP8PRKCASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 US disclosed
US-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2023-05-25 US disclosed
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2019-07-16 US disclosed
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-03-21 US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 US disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
WO-2018080903-A1 ANTIVIRAL ARYL-AMIDE PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-05-03 WO disclosed
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-02-02 US disclosed
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-02-02 US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 US disclosed
US-8012942-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
US-8012941-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-7973013-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-07-05 US disclosed
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-12 US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-12-24 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 (14 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-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885ALDH1A1 1078/4885MMP8 1086/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L TSHR 4488/4885ALDH1A1 113/4885MMP8 2818/4885
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA TSHR 1948/4885ALDH1A1 1783/4885MMP8 3184/4885
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, TYMP, MTAP TSHR 2926/4885ALDH1A1 3094/4885MMP8 2209/4885
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TSHR 3767/4885ALDH1A1 1927/4885MMP8 2057/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885MMP8 3384/4885
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885MMP8 3384/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885MMP8 3384/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 TSHR 3738/4885ALDH1A1 1082/4885MMP8 1033/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885ALDH1A1 1078/4885MMP8 1086/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TSHR 3767/4885ALDH1A1 1927/4885MMP8 2057/4885
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 TSHR 2237/4885ALDH1A1 1216/4885MMP8 2619/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 TSHR 3809/4885ALDH1A1 2811/4885MMP8 3736/4885
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT CDA, PNP, MTAP TSHR 3046/4885ALDH1A1 1313/4885MMP8 1952/4885

“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.