SCHEMBL16367151

SCHEMBL16367151

CN(Cc1ccccc1F)[C@H]1CC[C@H](N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
AOC3 Q16853 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
RIPK1 Q13546 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
DPP4 P27487 2/20 0.37
DPP9 Q86TI2 2/20 0.37

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
SCHEMBL14451968 0.92 SLC6A2 (0.49) SLC6A2SLC6A3AOC3TAAR1ALDH1A1
SCHEMBL16367134 0.77 GRIN2B (0.54) AOC3ALDH1A1KDM4EOPRM1
SCHEMBL16607846 0.77 GRIN2B (0.54) AOC3ALDH1A1KDM4EOPRM1
SCHEMBL3547410 0.76 SLC6A2 (0.45) SLC6A2SLC6A3AOC3TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL18062690 0.76 GRIN2B (0.52) AOC3ALDH1A1KDM4EOPRM1
SCHEMBL2404071 0.76 TAAR1 (0.62) SLC6A2SLC6A3AOC3TAAR1ALDH1A1
SCHEMBL16367150 0.74 HRH3 (0.51) SLC6A2SLC6A3AOC3TAAR1DPP4
SCHEMBL31097594 0.74 HRH3 (0.51) SLC6A2SLC6A3AOC3TAAR1DPP4
SCHEMBL902293 0.71 NOS3 (0.50) SLC6A2SLC6A3TAAR1ALDH1A1LMNA
SCHEMBL14438317 0.71 SLC6A2 (0.56) SLC6A2SLC6A3TAAR1ALDH1A1KDM4E

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 SLC6A2 371/4885SLC6A3 1260/4885AOC3 415/4885

“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.