SCHEMBL16367140

SCHEMBL16367140

CN(C)C1CCN(C(=O)CN(CC(=O)N2CCC(N(C)C)CC2)[C@H]2CC[C@H](N)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.43
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
CDYL Q9Y232 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
KDM1A O60341 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
ACKR3 P25106 1/20 0.33

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
SCHEMBL16367136 0.83 GNAI3 (0.38) GNAI3GNAO1GNAI1KDM1AMAOB
SCHEMBL19312149 0.79 L3MBTL3 (0.49) L3MBTL3CDYLCDY1; CDY1BKDM1AL3MBTL1
SCHEMBL16367148 0.79 GNAI3 (0.34) GNAI3GNAO1GNAI1KDM1A
SCHEMBL16367149 0.78 ALDH1A1 (0.41) GNAI3GNAO1GNAI1L3MBTL1ALDH1A1
SCHEMBL2687834 0.77 GNAI3 (0.53) GNAI3GNAO1GNAI1KDM1AALDH1A1
SCHEMBL16367146 0.75 SMN1; SMN2 (0.35) GNAI3GNAO1GNAI1KDM1AMAOA
SCHEMBL15808501 0.75 L3MBTL3 (0.51) L3MBTL3GNAI3GNAO1GNAI1CDYL
SCHEMBL15422988 0.75 GNAI3 (0.39) GNAI3GNAO1GNAI1KDM1AL3MBTL1
SCHEMBL19502790 0.74 L3MBTL3 (0.47) L3MBTL3L3MBTL1ALDH1A1
SCHEMBL19312146 0.74 L3MBTL3 (0.47) L3MBTL3CDYLCDY1; CDY1BKDM1AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019492-B1 AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP disclosed
US-9126982-B2 Heterocyclic compounds, medicaments containing them, use and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 US disclosed
US-9126982-B2 Heterocyclic compounds, medicaments containing them, use and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 US disclosed
WO-2015003958-A1 AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-15 WO disclosed
US-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 US disclosed
US-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 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 (1 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-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 L3MBTL3 4878/4885GNAI3 1111/4885GNAO1 605/4885

“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.