SCHEMBL1491399

SCHEMBL1491399

CC(NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.49
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 1/20 0.45
NAMPT P43490 2/20 0.43
XBP1 P17861 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
TPSAB1 Q15661 2/20 0.42
TPSD1 Q9BZJ3 2/20 0.42
TPSG1 Q9NRR2 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NTSR1 P30989 1/20 0.40
SDCBP O00560 1/20 0.40
SDC2 P34741 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
SCHEMBL1491397 1.00 CACNA1B (0.49) CACNA1BMAPTNPSR1L3MBTL1RECQL
SCHEMBL8195663 0.87 ALDH1A1 (0.49) CACNA1BMAPTNPSR1L3MBTL1RECQL
SCHEMBL8204563 0.87 ALDH1A1 (0.49) CACNA1BMAPTNPSR1L3MBTL1RECQL
SCHEMBL8202738 0.86 CACNA1B (0.48) CACNA1BMAPTNPSR1L3MBTL1RECQL
SCHEMBL1491700 0.83 ITGA4 (0.51) CACNA1BMAPTNAMPTTDP1HDAC1
SCHEMBL1491697 0.83 ITGA4 (0.51) CACNA1BMAPTNAMPTTDP1HDAC1
SCHEMBL3346269 0.81 PDK1 (0.42) TPSAB1TPSD1TPSG1ALDH1A1HDAC3
SCHEMBL8313233 0.79 F2 (0.49) MAPTL3MBTL1LMNA
SCHEMBL8313235 0.79 F2 (0.49) MAPTL3MBTL1LMNA
SCHEMBL1491536 0.79 CACNA1B (0.51) CACNA1BMAPTL3MBTL1NAMPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US 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
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP 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 (3 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 CACNA1B 4367/4885MAPT 3276/4885NPSR1 4425/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CACNA1B 3073/4885MAPT 4835/4885NPSR1 1155/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CACNA1B 3503/4885MAPT 4873/4885NPSR1 2152/4885

“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.