SCHEMBL6742274

SCHEMBL6742274

C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN(Cc2ccccc2)[C@@H](C)CN(Cc2ccccc2)[C@@H](C)CN1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.66
SIGMAR1 Q99720 3/20 0.61
PDK1 Q15118 1/20 0.57
PDK2 Q15119 1/20 0.57
PDK3 Q15120 1/20 0.57
PDK4 Q16654 1/20 0.57
HRH2 P25021 1/20 0.51
ACHE P22303 1/20 0.50
MAPK14 Q16539 1/20 0.48

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
SCHEMBL6742277 1.00 MAPT (0.66) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL4048121 0.98 MAPT (0.68) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL6741206 0.98 MAPT (0.68) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL1189176 0.91 SIGMAR1 (0.57) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL1190075 0.91 SIGMAR1 (0.57) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL25154402 0.88 MAPT (0.54) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL6927881 0.86 OPRD1 (0.61) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17069524 0.86 MAPT (0.70) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17426061 0.86 MAPT (0.70) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17426063 0.86 MAPT (0.70) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240252694-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. 2024-08-01 US disclosed
CN-118043042-A Conjugate comprising a covalent binding agent for targeting intracellular KRAS G12C proteins 瑞择生物公司 2024-05-14 CN disclosed
US-11246949-B2 Imaging contrast agents and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-02-15 US disclosed
US-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-07-10 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
US-RE38329-E1 Chelated complexes of paramagnetic metals with low toxicity BRACCO IMAGING S.P.A. (IT) 2003-11-25 US disclosed
EP-0872479-B1 Chelated complexes of paramagnetic metals with low toxicity BRACCO SPA (IT) 2002-09-04 EP disclosed
US-6177562-B1 Chelated complexes of paramagnetic metals with low toxicity DIBRA S.P.A. (IT) 2001-01-23 US disclosed
US-6149890-A 12-CROWN-4-AMINE DERIVATIVE DIAGNOSTIC CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2000-11-21 US disclosed
EP-0883610-B1 PROCESS FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE AND ITS DERIVATIVES SCHERING AG (DE) 2000-07-12 EP disclosed
EP-0872479-A1 Chelated complexes of paramagnetic metals with low toxicity BRACCO S.p.A. (IT) 1998-10-21 EP 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 (4 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-20240252694-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS KRAS, NRAS, HRAS MAPT 4078/4885SIGMAR1 4530/4885PDK1 4134/4885
US-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds H1-2, H1-0, H1-3 MAPT 2852/4885SIGMAR1 1104/4885PDK1 3636/4885
US-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF SLC40A1, SLC39A14, SLC39A3 MAPT 949/4885SIGMAR1 1046/4885PDK1 349/4885
US-11246949-B2 Imaging contrast agents and uses thereof SLC40A1, SLC39A14, SLC39A3 MAPT 949/4885SIGMAR1 1046/4885PDK1 349/4885

“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.