SCHEMBL16367152

SCHEMBL16367152

N[C@H]1CC[C@H](NC(=O)CN2CCC(O)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
CHRM5 P08912 3/20 0.49
CHRM3 P20309 2/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
KDM4E B2RXH2 2/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL19898648 0.83 SIGMAR1 (0.67) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL473628 0.83 ALDH1A1 (0.54) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL473342 0.83 SIGMAR1 (0.67) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL473343 0.83 SIGMAR1 (0.67) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL473629 0.83 ALDH1A1 (0.54) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL16374931 0.82 CYP11B2 (0.45) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL16374935 0.81 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL16374969 0.80 SIGMAR1 (0.46) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL16374976 0.78 SIGMAR1 (0.77) SIGMAR1CHRM5CHRM3CA12CA1
SCHEMBL981182 0.77 SIGMAR1 (0.74) SIGMAR1CHRM5CHRM3CA12CA1

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 SIGMAR1 2092/4885CHRM5 588/4885CHRM3 329/4885

“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.