SCHEMBL16375018

SCHEMBL16375018

CC(C)NC(=O)N[C@H]1CC[C@H](N)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SMYD3 Q9H7B4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 3/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL15262638 0.90 EPHX1 (0.58) EPHX1ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL2625568 0.90 EPHX1 (0.58) EPHX1ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL2625555 0.84 EPHX1 (0.67) EPHX1ALDH1A1SMN1; SMN2EPHX2LMNA
SCHEMBL2625559 0.84 EPHX1 (0.61) EPHX1ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL23573335 0.82 ALDH1A1 (0.56) EPHX1ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL12521938 0.82 EPHX2 (0.65) EPHX1ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL14654896 0.82 EPHX1 (0.66) EPHX1ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL23573334 0.82 ALDH1A1 (0.56) EPHX1ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL8250809 0.82 EPHX1 (0.70) EPHX1ALDH1A1SMN1; SMN2EPHX2LMNA
SCHEMBL9003889 0.81 EPHX2 (0.61) EPHX1ALDH1A1SMN1; SMN2SMYD3EPHX2

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 4 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
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

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 EPHX1 1974/4885ALDH1A1 903/4885SMN1; SMN2 2051/4885

“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.