SCHEMBL1491639

SCHEMBL1491639

CC(C)(C)OC(=O)N(Cc1cccc(N)c1)C(C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.39
TP53 P04637 1/20 0.38
OPRK1 P41145 1/20 0.38
HSD11B1 P28845 2/20 0.37
MDM2 Q00987 2/20 0.37
BACE1 P56817 3/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MAPK14 Q16539 2/20 0.35

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
SCHEMBL1491637 1.00 CACNA1B (0.39) CACNA1BTP53OPRK1HSD11B1MDM2
SCHEMBL1493571 0.90 CACNA1B (0.38) CACNA1BTP53OPRK1HSD11B1MAPK14
SCHEMBL1493572 0.90 CACNA1B (0.38) CACNA1BTP53OPRK1HSD11B1MAPK14
SCHEMBL16690711 0.87 TRPM8 (0.41) OPRK1BACE1TRPM8
SCHEMBL14911148 0.86 OPRK1 (0.44) CACNA1BTP53OPRK1HSD11B1MDM2
SCHEMBL12234610 0.86 MAPK14 (0.41) CACNA1BTP53HSD11B1MDM2HTR2C
SCHEMBL1491732 0.85 ALDH1A1 (0.44) CACNA1BOPRK1
SCHEMBL1491730 0.85 ALDH1A1 (0.44) CACNA1BOPRK1
SCHEMBL8256880 0.85 MEN1 (0.46) OPRK1BACE1TRPM8
SCHEMBL1491455 0.84 CACNA1B (0.40) CACNA1BTP53OPRK1HSD11B1

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 19 patents. 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
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
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
EP-1877098-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2013-04-24 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 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-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
EP-1877098-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS 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 (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-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885TP53 2864/4885OPRK1 979/4885
US-20090215800-A1 Enzyme and Receptor Modulation CES1, HCAR1, DNPEP CACNA1B 3620/4885TP53 2864/4885OPRK1 979/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885TP53 2864/4885OPRK1 979/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885TP53 2864/4885OPRK1 979/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CACNA1B 3073/4885TP53 1898/4885OPRK1 2615/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CACNA1B 3620/4885TP53 2864/4885OPRK1 979/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CACNA1B 3503/4885TP53 2646/4885OPRK1 1173/4885

“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.