SCHEMBL16367145

SCHEMBL16367145

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
SMYD3 Q9H7B4 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 3/20 0.34
EPHX2 P34913 2/20 0.33
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32

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
Hydrochloric Acid SCHEMBL7588570 0.98 HSD11B1 (0.37) HSD11B1SMYD3L3MBTL1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7588573 0.98 HSD11B1 (0.37) HSD11B1SMYD3L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL27512213 0.91 HSD11B1 (0.39) HSD11B1L3MBTL1ALDH1A1SMN1; SMN2TDP1
SCHEMBL16367147 0.84 HSD11B1 (0.36) HSD11B1SMYD3SMN1; SMN2HSD17B10MEN1
SCHEMBL13744655 0.84 HSD11B1 (0.36) HSD11B1L3MBTL1ALDH1A1SMN1; SMN2TDP1
SCHEMBL6628285 0.83 L3MBTL1 (0.46) L3MBTL1ALDH1A1SMN1; SMN2TDP1HSD17B10
Hydrochloric Acid SCHEMBL7582105 0.81 MEN1 (0.50) HSD11B1SMYD3ALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7582103 0.81 MEN1 (0.50) HSD11B1SMYD3ALDH1A1SMN1; SMN2MEN1
SCHEMBL15342485 0.79 MDM4 (0.35) HSD11B1L3MBTL1ALDH1A1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL7577713 0.79 MEN1 (0.43) SMYD3L3MBTL1ALDH1A1TDP1MEN1

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 HSD11B1 375/4885SMYD3 4130/4885L3MBTL1 4866/4885

“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.