SCHEMBL1841015

SCHEMBL1841015

N#C[C@H]1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP2C19 P33261 1/20 0.62
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GRIN2B Q13224 9/20 0.53
HTT P42858 1/20 0.53
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP3A4 P08684 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
ENPP2 Q13822 1/20 0.48
PDE4B Q07343 1/20 0.47

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
SCHEMBL2323942 1.00 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1290635 0.93 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1437263 0.92 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14539329 0.89 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL25275303 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30917595 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31449857 0.87 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6062459 0.85 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21497616 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31460273 0.83 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590978-B1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY FOB SYNTHESIS INC (US) 2017-09-20 EP disclosed
US-20150306071-A1 Carbapenem Antibacterials with Gram-Negative Activity CHOI, WOO-BAEG, DR. 2015-10-29 US disclosed
US-9149461-B2 Carbapenem antibacterials with gram-negative activity FOB SYNTHESIS, INC. (US) 2015-10-06 US disclosed
US-20130172313-A1 Carbapenem Antibacterials with Gram-Negative Activity FOB SYNTHESIS, INC. (US) 2013-07-04 US disclosed
WO-2011160020-A2 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY FOB SYNTHESIS (US) 2011-12-22 WO disclosed
EP-1192136-B1 OLIGOMERS AND POLYMERS OF CYCLIC IMINO CARBOXYLIC ACIDS WISCONSIN ALUMNI RES FOUND (US) 2011-05-18 EP disclosed
US-7304165-B2 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7304165-B2 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7304165-B2 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-6914048-B2 Method for delivery of molecules to intracellular targets WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-07-05 US disclosed
US-20040152133-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids GELLMAN SAMUEL H (US) 2004-08-05 US disclosed
US-6727368-B1 PYRROLIDINE-3-CARBOXYLIC ACID MONOMERS; POLYLACTAMS; COMBINATORIAL LIBRARIES WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-04-27 US disclosed
US-6710186-B2 CONFORMATIONALLY-RESTRICTED; ANALOGOUS TO POLY(PROLINE) II HELICAL STRUCTURE WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-03-23 US disclosed
US-20030119189-A1 Method for delivery of molecules to intracellular targets NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-06-26 US disclosed
WO-2003024477-A1 METHOD FOR DELIVERY OF MOLECULES TO INTRACELLULAR TARGETS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-03-27 WO disclosed
EP-1192136-A2 OLIGOMERS AND POLYMERS OF CYCLIC IMINO CARBOXYLIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2002-04-03 EP disclosed
US-20020032334-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2002-03-14 US disclosed
WO-2000076974-A2 OLIGOMERS AND POLYMERS OF CYCLIC IMINO CARBOXYLIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-12-21 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 (5 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-20020032334-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids PCNA, PAICS, INHA SMN1; SMN2 1138/4885NPC1 3862/4885RAB9A 3744/4885
US-20040152133-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids PCNA, PAICS, INHA SMN1; SMN2 1138/4885NPC1 3862/4885RAB9A 3744/4885
US-20030119189-A1 Method for delivery of molecules to intracellular targets DNPEP, SLC7A1, PHAX SMN1; SMN2 2070/4885NPC1 238/4885RAB9A 1113/4885
US-20130172313-A1 Carbapenem Antibacterials with Gram-Negative Activity MGAM, GSK3B, GSK3A SMN1; SMN2 2268/4885NPC1 1620/4885RAB9A 1220/4885
US-20150306071-A1 Carbapenem Antibacterials with Gram-Negative Activity MGAM, GSK3B, GSK3A SMN1; SMN2 2268/4885NPC1 1620/4885RAB9A 1220/4885

“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.