SCHEMBL6863978

SCHEMBL6863978

CN(C)CCN([C@H]1CC[C@H](N)CC1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
MAPK1 P28482 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL31363723 0.72 KDM4E (0.35)
SCHEMBL31363344 0.72 KDM4E (0.35)
SCHEMBL4713084 0.72 CYP4F2 (0.33)
SCHEMBL20341656 0.72 CA1 (0.39) DPP4DPP7MAPK1PER2CRY1
SCHEMBL4713086 0.72 CYP4F2 (0.33)
SCHEMBL18611355 0.71 PER2 (0.37) DPP4DPP7MAPK1PER2CRY1
SCHEMBL16367135 0.70 KMT2A (0.41) MAPK1
SCHEMBL18508455 0.69 JAK2 (0.31)
SCHEMBL14310631 0.68
SCHEMBL16367139 0.68 PIK3CD (0.37) DPP4DPP7

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
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
US-8536172-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
US-8536172-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
US-20110034470-A1 Inhibitors of JNK GONG LEYI 2011-02-10 US disclosed
US-20110034470-A1 Inhibitors of JNK GONG LEYI 2011-02-10 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-20110034470-A1 Inhibitors of JNK MAPK1, MAP3K6, MAP3K3 DPP4 2544/4885DPP7 3497/4885MAPK1 1/4885
US-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 DPP4 2192/4885DPP7 2485/4885MAPK1 1534/4885

“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.