SCHEMBL960858

SCHEMBL960858

CN(C)CCCS(=O)(=O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.37
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
BRD4 O60885 1/20 0.32
GUSB P08236 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
LMNA P02545 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2B P18089 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
Hydrochloric Acid SCHEMBL2815292 0.98 KMT2A (0.38) KMT2AKDM4EIKBKBCHUKHRH3
SCHEMBL477419 0.89 KMT2A (0.41) KMT2AKDM4EIKBKBALDH1A1MAPT
SCHEMBL4073047 0.79 KMT2A (0.41) KMT2AKDM4EALDH1A1MAPTSIGMAR1
SCHEMBL4199003 0.79 BRD4 (0.36) KMT2AIKBKBCHUKBRD4PIK3CD
SCHEMBL3107942 0.78 GNAI3 (0.41) KMT2AKDM4EALDH1A1MAPTSIGMAR1
SCHEMBL25088614 0.78 GFER (0.41) KDM4EIKBKBCHUKBRD4ALDH1A1
SCHEMBL25420992 0.76 GNAO1 (0.43) KMT2AKDM4EALDH1A1MAPT
SCHEMBL25420232 0.76 GNAO1 (0.43) KMT2AKDM4EALDH1A1MAPT
SCHEMBL10464788 0.76 GNAO1 (0.43) KMT2AKDM4EALDH1A1MAPT
SCHEMBL25253971 0.76 GNAO1 (0.43) KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
EP-1812446-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-11-18 EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2013-11-28 US disclosed
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2012-10-11 US disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-7872003-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2011-01-18 US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-20080207609-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
EP-1812446-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 WO disclosed
WO-2006046040-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 KMT2A 3497/4885KDM4E 3348/4885IKBKB 328/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 KMT2A 3497/4885KDM4E 3348/4885IKBKB 328/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 KMT2A 3456/4885KDM4E 3315/4885IKBKB 330/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 KMT2A 3497/4885KDM4E 3348/4885IKBKB 328/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 KMT2A 3497/4885KDM4E 3348/4885IKBKB 328/4885
US-20080207609-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 KMT2A 3503/4885KDM4E 3335/4885IKBKB 323/4885

“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.