SCHEMBL15722751

SCHEMBL15722751

CC(C)(C)OC(=O)NCC1CN(Cc2ccccc2)CCN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
NPFFR1 Q9GZQ6 1/20 0.50
NPFFR2 Q9Y5X5 1/20 0.50
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL14357537 0.99 SIGMAR1 (0.52) SIGMAR1NPFFR1NPFFR2ALDH1A1LMNA
SCHEMBL30500906 0.91 NPFFR1 (0.50) SIGMAR1NPFFR1NPFFR2KMT2AMEN1
SCHEMBL10682348 0.85 KMT2A (0.51) SIGMAR1NPFFR1NPFFR2KMT2AL3MBTL1
SCHEMBL7239887 0.84 SIGMAR1 (0.52) SIGMAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL15709401 0.84 SIGMAR1 (0.53) SIGMAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7238864 0.83 SIGMAR1 (0.52) SIGMAR1ALDH1A1LMNAL3MBTL1
SCHEMBL14290582 0.83 OPRM1 (0.55) SIGMAR1KMT2AL3MBTL1
SCHEMBL9091685 0.83 OPRM1 (0.55) SIGMAR1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL7234734 0.83 SIGMAR1 (0.51) SIGMAR1ALDH1A1LMNAL3MBTL1
SCHEMBL5431144 0.82 SIGMAR1 (0.54) SIGMAR1ALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988388-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C- functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-06-05 US disclosed
US-9988388-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C- functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-06-05 US disclosed
US-9981967-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C-functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-05-29 US disclosed
US-9981967-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C-functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-05-29 US disclosed
EP-2922830-B1 SYNTHESIS OF IMIDAZO(1,2-A)PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF UNIV BOURGOGNE (FR) 2018-05-16 EP disclosed
US-20160222018-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C- FUNCTIONALIZED DERIVATIVES THEREOF UNIVERSITE DE BOURGOGNE (FR) 2016-08-04 US disclosed
US-20160222018-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C- FUNCTIONALIZED DERIVATIVES THEREOF UNIVERSITE DE BOURGOGNE (FR) 2016-08-04 US disclosed
WO-2014079953-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF Université de Bourgogne (FR) 2014-05-30 WO disclosed
US-20140142298-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-05-22 US disclosed
US-20140142298-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-05-22 US 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-20140142298-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C-FUNCTIONALIZED DERIVATIVES THEREOF TAC3, TACR2, TACR3 SIGMAR1 483/4885NPFFR1 796/4885NPFFR2 977/4885
US-20160222018-A1 SYNTHESIS OF IMIDAZO[1,2-a]PYRAZIN-4-IUM SALTS FOR THE SYNTHESIS OF 1,4,7-TRIAZACYCLONONANE (TACN) AND N- AND/OR C- FUNCTIONALIZED DERIVATIVES THEREOF TAC3, TACR2, TACR3 SIGMAR1 528/4885NPFFR1 626/4885NPFFR2 976/4885

“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.