SCHEMBL1841014

SCHEMBL1841014

N#Cc1cccc(COC(=O)N2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.50
MGLL Q99685 5/20 0.49
CYP1A2 P05177 1/20 0.49
GRM5 P41594 1/20 0.49
FNTA P49354 3/20 0.48
FNTB P49356 3/20 0.48
PGGT1B P53609 3/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRM4 P08173 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FAAH O00519 1/20 0.46
HRH1 P35367 2/20 0.45
HRH2 P25021 1/20 0.45
CYP2C19 P33261 1/20 0.44

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
SCHEMBL16825189 0.99 DPP7 (0.52) DPP7MGLLCYP1A2GRM5FNTA
SCHEMBL16825436 0.82 FNTA (0.53) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL1841981 0.81 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1842056 0.80 ENPP2 (0.44) CYP1A2GRM5FNTAFNTBPGGT1B
SCHEMBL28032076 0.79 ENPP2 (0.54)
SCHEMBL29682483 0.78 DPP7 (0.54) DPP7MGLLFNTAFNTBPGGT1B
SCHEMBL4717126 0.78 SMN1; SMN2 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL22290359 0.78 MEN1 (0.56) MGLLMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16825208 0.78 ENPP2 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30719262 0.78 GRIN2B (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20020032334-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids PCNA, PAICS, INHA DPP7 4317/4885MGLL 4085/4885CYP1A2 2338/4885
US-20040152133-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids PCNA, PAICS, INHA DPP7 4317/4885MGLL 4085/4885CYP1A2 2338/4885
US-20030119189-A1 Method for delivery of molecules to intracellular targets DNPEP, SLC7A1, PHAX DPP7 893/4885MGLL 2413/4885CYP1A2 4819/4885

“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.