SCHEMBL20061841

SCHEMBL20061841

COCCNC(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 1/20 0.52
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 3/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SCN5A Q14524 1/20 0.49
SCN3A Q9NY46 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
SCN4A P35499 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7398961 1.00 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL15244828 0.87 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL4994907 0.87 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL1429928 0.87 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL1256350 0.87 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL24648736 0.87 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL20061874 0.86 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL11585903 0.86 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL5873415 0.86 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1NPC1KMT2APOLB
SCHEMBL5873425 0.86 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1NPC1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 US disclosed
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X SMN1; SMN2 790/4885ALDH1A1 2197/4885NPC1 2097/4885

“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.