SCHEMBL2958802

SCHEMBL2958802

CC(C)(C)NC(=O)NCCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4C Q9H3R0 1/20 0.44
EPHX1 P07099 1/20 0.40
CACNA1H O95180 7/20 0.38
CYP2D6 P10635 5/20 0.38
KCNH2 Q12809 4/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
ABCB11 O95342 1/20 0.34
GSR P00390 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL19171338 0.85 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL20017302 0.83 NPC1 (0.55) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL19164342 0.81 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL19171376 0.81 EPHX1 (0.57) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL3512598 0.79 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL7816137 0.79 KDM4C (0.67) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL19171947 0.79 EPHX1 (0.60) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL19171900 0.79 EPHX1 (0.60) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL3512602 0.79 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL30282423 0.78 KDM4C (0.38) NPC1RAB9AMAPTSMN1; SMN2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892245-B1 ANTINEOPLASTIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CT INGENIERIA GENETICA BIOTECH (CU) 2015-07-29 EP claimed
US-20160046619-A1 IMIDAZOLIDINONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS LLC (US) 2016-02-18 US disclosed
US-9133183-B2 Imidazolidinones and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2015-09-15 US disclosed
EP-1892245-B1 ANTINEOPLASTIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CT INGENIERIA GENETICA BIOTECH (CU) 2015-07-29 EP disclosed
US-20140315917-A1 IMIDAZOLIDINONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-10-23 US disclosed
WO-2014145015-A2 IMIDAZOLIDINONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 WO disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
CN-101203522-B Antineoplastic compounds and pharmaceutical compositions thereof CT INGENIERIA GENETICA BIOTECH 2011-06-08 CN disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, SODERTALJE, SWEDEN 2007-05-24 US disclosed
US-7164017-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-01-16 US disclosed
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
EP-1559717-A2 Oxabispidine compounds useful in the treatment of cardiac arrythmias AstraZeneca AB (SE) 2005-08-03 EP disclosed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP disclosed
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 US disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 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 (6 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-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, RYR1 NPC1 3724/4885RAB9A 734/4885MAPT 4780/4885
US-20160046619-A1 IMIDAZOLIDINONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES CSF1R, KIT, CSF3R NPC1 4038/4885RAB9A 1378/4885MAPT 4781/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E NPC1 4009/4885RAB9A 1228/4885MAPT 4620/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E NPC1 4007/4885RAB9A 1471/4885MAPT 4610/4885
US-20140315917-A1 IMIDAZOLIDINONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES CSF1R, KIT, CSF3R NPC1 4038/4885RAB9A 1378/4885MAPT 4781/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E NPC1 4009/4885RAB9A 1228/4885MAPT 4620/4885

“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.