SCHEMBL20061879

SCHEMBL20061879

CC(C)OCC(=O)NCCN

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.35
PDK2 Q15119 1/20 0.35
GABRR1 P24046 2/20 0.34
FAAH O00519 1/20 0.33
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL18827296 0.89 PAOX (0.41) AAK1ALDH1A1LMNAKMT2AFAAH
SCHEMBL18827297 0.87 PAOX (0.48) ALDH1A1LMNAKMT2AFAAH
SCHEMBL25063765 0.82 EPHX2 (0.45) ALDH1A1LMNAKMT2ARAB9APOLB
SCHEMBL18104670 0.82 BCHE (0.44) ALDH1A1LMNAKMT2AFAAHHSD17B10
SCHEMBL9911437 0.82 RAB9A (0.50) ALDH1A1LMNAKMT2ARAB9AMAPT
SCHEMBL24808265 0.80 ALDH1A1 (0.39) AAK1ALDH1A1LMNAKMT2ARAB9A
SCHEMBL22525933 0.80 KDM4E (0.41) ALDH1A1LMNAKMT2ARAB9AFAAH
SCHEMBL25884918 0.80 KMT2A (0.50) ALDH1A1LMNAKMT2AFAAHHSD17B10
SCHEMBL23059841 0.78 ALDH1A1 (0.39) AAK1ALDH1A1LMNAKMT2ARAB9A
SCHEMBL9911444 0.78 ECE1 (0.47) ALDH1A1LMNAKMT2ARAB9AFAAH

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 AAK1 4300/4885ALDH1A1 2197/4885LMNA 284/4885

“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.