SCHEMBL9911436

SCHEMBL9911436

CC(C)OCC(=O)NCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 1/20 0.47
DNM1 Q05193 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP2 P42575 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ACKR3 P25106 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL17972720 0.89 LGALS1 (0.40) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL12387752 0.85 CYP1A2 (0.41) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL20953682 0.84 CYP1A2 (0.34) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL19057369 0.84 LMNA (0.36) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL25089951 0.83 SIGMAR1 (0.37) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL26147452 0.82 LGALS1 (0.36) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL24941942 0.82 LGALS1 (0.36) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL26700632 0.79 LGALS1 (0.35) LGALS1NPSR1ALDH1A1CYP1A2CYP2D6
SCHEMBL13450956 0.79 DNM1 (0.50) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL25063765 0.79 EPHX2 (0.45) ALDH1A1LMNATSHRPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020117974-A1 COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS AVEDRO, INC. (US) 2020-06-11 WO disclosed
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
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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 LGALS1 4439/4885DNM1 3134/4885NPSR1 1062/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E LGALS1 4588/4885DNM1 2409/4885NPSR1 2763/4885

“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.