SCHEMBL667763

SCHEMBL667763

O=C(N1CC[N]CC1)N1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
TP53 P04637 1/20 0.61
KMT2A Q03164 1/20 0.61
MAPT P10636 1/20 0.57
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RECQL P46063 1/20 0.48
AKR1C3 P42330 6/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL2899860 0.85 MEN1 (0.80) MEN1TP53KMT2AMAPTCA12
Hydrochloric Acid SCHEMBL28000052 0.83 MEN1 (0.76) MEN1TP53KMT2AMAPTCA12
Hydrochloric Acid SCHEMBL27660773 0.83 MEN1 (0.76) MEN1TP53KMT2AMAPTCA12
SCHEMBL11741744 0.83 MEN1 (0.85) MEN1TP53KMT2AMAPTCA12
SCHEMBL3554732 0.78 ALDH1A1 (0.62) MEN1TP53KMT2AMAPTSMN1; SMN2
SCHEMBL5219362 0.78 ALDH1A1 (0.59) MEN1TP53KMT2AMAPTSMN1; SMN2
SCHEMBL3954355 0.78 MEN1 (0.86) MEN1TP53KMT2AMAPTCA12
SCHEMBL30677423 0.78 MEN1 (0.95) MEN1TP53KMT2AMAPTCA12
SCHEMBL3031399 0.76 ALDH1A1 (0.67) MEN1TP53KMT2AMAPTSMN1; SMN2
SCHEMBL27794130 0.76 MEN1 (0.82) MEN1TP53KMT2AMAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232420-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2015-08-20 US claimed
WO-2014047288-A2 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF DOMINGUEZ CELIA (US) 2014-03-27 WO claimed
US-8653081-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-02-18 US claimed
US-20130296335-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2013-11-07 US claimed
US-8410108-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-04-02 US claimed
US-20100210634-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-08-19 US claimed
US-7718657-B2 Certain indanyl urea modulators of the cardiac sarcomere CYTOKINETICS, INC. (US) 2010-05-18 US claimed
EP-1828223-A4 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS INC (US) 2009-03-11 EP claimed
EP-1959962-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
WO-2008098143-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 WO claimed
EP-1467727-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2004-10-20 EP claimed
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP claimed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 WO claimed
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP claimed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 US claimed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 US claimed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO claimed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP claimed
US-5821240-A ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS DR. KARL THOMAE GMBH (DE) 1998-10-13 US claimed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO claimed

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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 MEN1 1992/4885TP53 4441/4885KMT2A 2791/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 MEN1 1992/4885TP53 4441/4885KMT2A 2791/4885
US-20100210634-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 MEN1 4319/4885TP53 2477/4885KMT2A 4052/4885
US-20130296335-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNI3, MYLK2, TNNT2 MEN1 4064/4885TP53 2365/4885KMT2A 3918/4885
US-20150232420-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN MEN1 2032/4885TP53 2771/4885KMT2A 848/4885

“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.