SCHEMBL16375019

SCHEMBL16375019

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 15/20 0.53
RAB9A P51151 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL18199497 0.90 RAB9A (0.49) SMYD3RAB9ACYP3A4HPGDCYP2C19
SCHEMBL5067337 0.90 RAB9A (0.49) SMYD3RAB9ACYP3A4HPGDCYP2C19
SCHEMBL21490018 0.84 SMYD3 (0.49) SMYD3RAB9ACYP3A4HPGDCYP2C19
SCHEMBL19701247 0.84 SMYD3 (0.49) SMYD3RAB9ACYP3A4HPGDCYP2C19
SCHEMBL15014614 0.83 EPHX1 (0.48) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL15014593 0.83 EPHX1 (0.48) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL11890370 0.82 RAB9A (0.54) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL11890375 0.82 RAB9A (0.58) RAB9ACYP3A4HPGDCYP2C19EPHX1
SCHEMBL12384535 0.81 RAB9A (0.43) SMYD3RAB9ACYP3A4HPGDCYP2C19
SCHEMBL8241745 0.81 EPHX1 (0.58) RAB9ACYP3A4HPGDCYP2C19EPHX1

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 SMYD3 4130/4885RAB9A 4077/4885CYP3A4 597/4885

“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.