SCHEMBL493880

SCHEMBL493880

CCCC(=O)NN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
NSD2 O96028 1/20 0.43
TTR P02766 1/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
HTT P42858 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CTSD P07339 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2364252 1.00 TP53 (0.50) TP53NPC1RAB9ASMN1; SMN2GNAI3
SCHEMBL3879759 0.98 GNAI3 (0.50) TP53NPC1RAB9ASMN1; SMN2GNAI3
SCHEMBL2364796 0.88 GNAI3 (0.58) TP53NPC1RAB9ASMN1; SMN2GNAI3
SCHEMBL16405435 0.86 GNAI3 (0.60) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL16010753 0.85 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL3868277 0.85 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL3974367 0.85 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL28996573 0.83 CA12 (0.46) TP53NPC1RAB9ASMN1; SMN2GNAI3
SCHEMBL4591725 0.83 HTT (0.47) TP53SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL3871463 0.82 GNAI3 (0.71) GNAI3GNAO1GNAI1CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110090303-A Opioid receptor agonist is manufacturing the purposes in the drug for treating malignant tumour 浙江大学 2019-08-06 CN disclosed
US-9000190-B2 Amide compound or salt thereof, biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2015-04-07 US disclosed
US-9000190-B2 Amide compound or salt thereof, biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2015-04-07 US disclosed
US-20150018564-A1 AMIDE COMPOUND OR SALT THEREOF, BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME UNIVERSITY OF TOKYO (JP) 2015-01-15 US disclosed
US-20150018564-A1 AMIDE COMPOUND OR SALT THEREOF, BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME UNIVERSITY OF TOKYO (JP) 2015-01-15 US disclosed
US-8748617-B2 Amide compound or salt thereof, and biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2014-06-10 US disclosed
US-8748617-B2 Amide compound or salt thereof, and biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2014-06-10 US disclosed
EP-1940845-B1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA ALBIREO AB (SE) 2013-06-12 EP disclosed
EP-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
US-20120296094-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME OTSUKA CHEMICAL CO., LTD. (JP) 2012-11-22 US disclosed
EP-1789389-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-05-30 EP disclosed
WO-2007037743-A1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA ASTRAZENECA AB (SE) 2007-04-05 WO disclosed
WO-2007037742-A1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA ASTRAZENECA AB (SE) 2007-04-05 WO disclosed
WO-2006137790-A1 NEW AZETIDINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
WO-2006137791-A1 NEW AZETIDINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US disclosed
CN-1805957-A Azetidine compounds ASTRAZENECA AB (SE) 2006-07-19 CN disclosed
WO-2006030984-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2006-03-23 WO disclosed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 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-20150018564-A1 AMIDE COMPOUND OR SALT THEREOF, BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME Q6ZSR9, F12, H1-0 TP53 3302/4885NPC1 2670/4885RAB9A 524/4885
US-20120296094-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME Q6ZSR9, F12, H1-0 TP53 3126/4885NPC1 2900/4885RAB9A 458/4885
US-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 TP53 3921/4885NPC1 457/4885RAB9A 306/4885

“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.