SCHEMBL4000982

SCHEMBL4000982

CC(=O)N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
PDK1 Q15118 1/20 0.50
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRNB2 P17787 3/20 0.48
CHRNA3 P32297 3/20 0.48
CHRNA4 P43681 3/20 0.48
CHRNB3 Q05901 1/20 0.48
CHRNA6 Q15825 1/20 0.48
CHRNB4 P30926 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRNA7 P36544 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1196644 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PDK1ALDH1A1NPC1NPSR1
SCHEMBL20671801 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PDK1ALDH1A1NPC1NPSR1
SCHEMBL18478123 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PDK1ALDH1A1NPC1NPSR1
SCHEMBL21610970 0.85 SMN1; SMN2 (0.44) SMN1; SMN2PDK1ALDH1A1NPC1NPSR1
SCHEMBL18478494 0.82 ALDH1A1 (0.40) SMN1; SMN2PDK1ALDH1A1NPC1NPSR1
SCHEMBL15759440 0.82 ALDH1A1 (0.41) SMN1; SMN2PDK1ALDH1A1NPC1NPSR1
SCHEMBL15116635 0.81 PKM (0.51) SMN1; SMN2PDK1ALDH1A1NPC1NPSR1
SCHEMBL4466642 0.81 PKM (0.51) SMN1; SMN2PDK1ALDH1A1NPC1NPSR1
SCHEMBL23182434 0.80 SMN1; SMN2 (0.38) SMN1; SMN2PDK1ALDH1A1NPC1NPSR1
SCHEMBL20680545 0.80 SMN1; SMN2 (0.52) SMN1; SMN2PDK1ALDH1A1NPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP claimed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO claimed
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
WO-2022253311-A1 HPK1 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-12-08 WO disclosed
WO-2021062246-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-04-01 WO disclosed
US-10779540-B2 Benzamide compounds and their use as herbicides BASF SE (DE) 2020-09-22 US disclosed
EP-3303329-B1 PROCESSES TO MAKE INDAZOLE DERIVATIVES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-09-18 EP disclosed
WO-2019016385-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2019-01-24 WO disclosed
US-20140056880-A1 TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8546434-B2 Triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2013-10-01 US disclosed
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO disclosed
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO disclosed
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 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 (4 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-10779540-B2 Benzamide compounds and their use as herbicides DDT, DNPH1, BBOX1 SMN1; SMN2 3108/4885PDK1 2158/4885ALDH1A1 74/4885
US-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 SMN1; SMN2 3705/4885PDK1 151/4885ALDH1A1 2394/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK SMN1; SMN2 1697/4885PDK1 215/4885ALDH1A1 2544/4885
US-20140056880-A1 TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP17A1, CYP51A1, KLKB1 SMN1; SMN2 2900/4885PDK1 257/4885ALDH1A1 2013/4885

“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.