SCHEMBL19764241

SCHEMBL19764241

CC(C)OCC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
GPR119 Q8TDV5 8/20 0.47
EPHX2 P34913 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL17936450 0.85 EPHX1 (0.62) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL19757996 0.84 EPHX1 (0.60) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL10268244 0.82 EPHX1 (0.65) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL20061880 0.82 EPHX1 (0.51) EPHX1ALDH1A1MAPTEPHX2MEN1
SCHEMBL2321232 0.82 EPHX1 (0.65) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL22332323 0.82 ATF4 (0.43) EPHX1ALDH1A1EPHX2MEN1KMT2A
SCHEMBL13459878 0.81 EPHX1 (0.63) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL22332321 0.81 NPSR1 (0.41) ALDH1A1L3MBTL1HTTRAB9AEPHX2
SCHEMBL4206232 0.81 EPHX1 (0.63) EPHX1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL307482 0.81 EPHX1 (0.63) EPHX1ALDH1A1L3MBTL1MAPTMAPK1

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 3 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-9932324-B2 Substituted benzimidazolium compounds useful in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-03 US disclosed
US-20180009789-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-11 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 (2 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 EPHX1 4135/4885ALDH1A1 2197/4885L3MBTL1 1187/4885
US-20180009789-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES F12, CKMT1A; CKMT1B, CHRM1 EPHX1 3508/4885ALDH1A1 928/4885L3MBTL1 922/4885

“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.