SCHEMBL4048121

SCHEMBL4048121

CC1CN1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
SIGMAR1 Q99720 3/20 0.58
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
HRH2 P25021 1/20 0.53
ACHE P22303 1/20 0.52

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
SCHEMBL6741206 1.00 MAPT (0.68) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL6742277 0.98 MAPT (0.66) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL6742274 0.98 MAPT (0.66) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL1189176 0.89 SIGMAR1 (0.57) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL1190075 0.89 SIGMAR1 (0.57) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17069524 0.88 MAPT (0.70) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17426061 0.88 MAPT (0.70) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17069523 0.88 MAPT (0.70) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17426063 0.88 MAPT (0.70) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL25154402 0.86 MAPT (0.54) MAPTSIGMAR1PDK1PDK2PDK3

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-1461315-A4 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2005-06-01 EP claimed
US-6852865-B2 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. (US) 2005-02-08 US claimed
EP-1461315-A2 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RESEARCH FOUNDATION, INC. (US) 2004-09-29 EP claimed
US-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. 2003-08-28 US claimed
WO-2003050154-A2 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RESEARCH FOUNDATION, INC. (US) 2003-06-19 WO claimed
CN-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN disclosed
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed
EP-1461315-B1 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2009-07-29 EP disclosed
EP-1461315-B1 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2009-07-29 EP disclosed
US-6852865-B2 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. (US) 2005-02-08 US disclosed
US-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
US-6693190-B1 TETRAAZACYCLODODECANE MACROCYCLE DERIVATIVES INCLUDING METAL COMPLEXES; MAGNETIC RESONANCE IMAGING AGENTS BRACCO INTERNATIONAL B.V. (NL) 2004-02-17 US disclosed
EP-0883610-B1 PROCESS FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE AND ITS DERIVATIVES SCHERING AG (DE) 2000-07-12 EP disclosed
CN-1211975-A Process for preparing 1,4,7,10-tetraazacyclododecane and its derivatives SCHERING AG (DE) 1999-03-24 CN disclosed
EP-0883610-A1 PROCESS FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE AND ITS DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-16 EP disclosed
EP-0872479-A1 Chelated complexes of paramagnetic metals with low toxicity BRACCO S.p.A. (IT) 1998-10-21 EP disclosed
US-5744616-A CYCLOTETRAMERIZATION OF A BENZYLAZIRIDINE DERIVATIVE SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
WO-1997031905-A1 PROCESS FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE AND ITS DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-04 WO disclosed
CN-1128534-A Monomeric and multimeric compounds with improved relaxivity BRACCO INT BV (NL) 1996-08-07 CN disclosed
WO-1995031444-A1 ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS BRACCO INTERNATIONAL B.V. (NL) 1995-11-23 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 (2 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-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds H1-2, H1-0, H1-3 MAPT 2852/4885SIGMAR1 1104/4885PDK1 3636/4885
US-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles LOX, CA9, LPO MAPT 4734/4885SIGMAR1 2604/4885PDK1 971/4885

“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.