SCHEMBL2533889

SCHEMBL2533889

CCOC(=O)CC(C)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
TSHR P16473 4/20 0.35
CYP2D6 P10635 1/20 0.35
OPRD1 P41143 3/20 0.35
OPRM1 P35372 2/20 0.35
ALDH1A1 P00352 7/20 0.34
TRPA1 O75762 1/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3271825 0.84 ALDH1A1 (0.45) MGAMGAASIMGAM2TSHR
SCHEMBL8473914 0.83 CHRM5 (0.41) CHRM5CHRM3TSHRCYP2D6OPRD1
SCHEMBL6542505 0.83 MAPT (0.47) MGAMGAASIMGAM2TSHR
SCHEMBL7306746 0.82 MAPT (0.47) MGAMGAASIMGAM2TSHR
SCHEMBL12251138 0.80 MGAM (0.36) MGAMGAASIMGAM2TSHR
SCHEMBL4073904 0.79 CHRM2 (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL2110264 0.77 SIGMAR1 (0.42) GAACHRM5CHRM3TSHROPRD1
SCHEMBL12229557 0.77 CHRM5 (0.41) CHRM5CHRM3CYP2D6OPRD1OPRM1
SCHEMBL7016567 0.76 MAPT (0.41) GAATSHRCYP2D6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7970534 0.76 SIGMAR1 (0.41) GAACHRM5CHRM3TSHROPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
EP-2563795-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY MethylGene Inc. (CA) 2013-03-06 EP disclosed
WO-2011127567-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-10-20 WO disclosed
WO-2011127567-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-10-20 WO disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 MGAM 3209/4885GAA 762/4885SI 4659/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 MGAM 3730/4885GAA 559/4885SI 4692/4885

“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.