SCHEMBL193382

SCHEMBL193382

CC(C)(C)OC(=O)NC(CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.48
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL193381 1.00 CACNA1B (0.48) CACNA1BPPARGPPARAMAPTSMN1; SMN2
SCHEMBL14066395 0.91 CACNA1B (0.45) CACNA1BPPARGPPARAMAPTSMN1; SMN2
SCHEMBL193655 0.89 CACNA1B (0.49) CACNA1BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL193656 0.89 CACNA1B (0.49) CACNA1BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8257659 0.86 CACNA1B (0.51) CACNA1BHRH2HRH1ITGB3ITGA2B
SCHEMBL10052884 0.86 CACNA1B (0.60) CACNA1BMAPTSMN1; SMN2ALDH1A1HRH2
SCHEMBL2740535 0.86 CACNA1B (0.51) CACNA1BHRH2HRH1ITGB3ITGA2B
SCHEMBL12395414 0.85 ACHE (0.48) MAPTSMN1; SMN2GAACRHBPCRHR2
SCHEMBL192979 0.85 CACNA1B (0.54) CACNA1BALDH1A1HRH2HRH1ITGB3
SCHEMBL14066762 0.85 CACNA1B (0.49) CACNA1BHRH2HRH1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 US disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 US disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US disclosed
US-20090215800-A1 Enzyme and Receptor Modulation CHROMA THERAPEUTICS LTD (GB) 2009-08-27 US disclosed
US-20090215800-A1 Enzyme and Receptor Modulation CHROMA THERAPEUTICS LTD (GB) 2009-08-27 US disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1877366-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2007129020-A1 PYRIMIDINE DERIVATIVES USEFUL AS DHFR INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (5 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-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885PPARG 1482/4885PPARA 1422/4885
US-20090215800-A1 Enzyme and Receptor Modulation CES1, HCAR1, DNPEP CACNA1B 3620/4885PPARG 1482/4885PPARA 1422/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885PPARG 1482/4885PPARA 1422/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885PPARG 1482/4885PPARA 1422/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885PPARG 1482/4885PPARA 1422/4885

“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.