SCHEMBL13041267

SCHEMBL13041267

CCOC(=O)OCCN(C)C(=O)OCCNC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
SOAT1 P35610 1/20 0.34
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
Hydrochloric Acid SCHEMBL1065299 0.98 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL1062918 0.85 ALDH1A1 (0.52) ALDH1A1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL12933443 0.83 ALDH1A1 (0.59) ALDH1A1SOAT1MGAMGAASI
SCHEMBL19945783 0.82 CHRNB2 (0.40) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL1066975 0.81 ALDH1A1 (0.56) ALDH1A1SOAT1MGAMGAASI
Hydrochloric Acid SCHEMBL19924684 0.80 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12933446 0.79 CYP1A2 (0.41) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19945790 0.79 CHRNB2 (0.38) ALDH1A1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL19927699 0.78 PRMT3 (0.39) ALDH1A1CHRNB2CHRNA4CHRM2CHRM4
Hydrochloric Acid SCHEMBL19924643 0.78 CHRNB2 (0.37) ALDH1A1CHRNB2CHRNA4CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160128945-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
US-8784885-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-8784885-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20140186449-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2014-07-03 US disclosed
US-20140186448-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2014-07-03 US disclosed
US-8722084-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-8722084-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-8449911-B2 Drug composition having active ingredient adhered at high concentration to spherical core TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
US-8449911-B2 Drug composition having active ingredient adhered at high concentration to spherical core TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
US-20100285120-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US disclosed
US-20100285120-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US disclosed
US-20100278911-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-04 US disclosed
US-20100278911-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-04 US disclosed
US-20100272798-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100272798-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-7790755-B2 dexlansoprazole FDA Orange book listed patent; capsules with pH dependently soluble polymers such as methyl methacrylate-methacrylic acid copolymers or cellulose esters TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7790755-B2 dexlansoprazole FDA Orange book listed patent; capsules with pH dependently soluble polymers such as methyl methacrylate-methacrylic acid copolymers or cellulose esters TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7410981-B2 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-12 US disclosed
US-7410981-B2 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-12 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 (6 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-20100272798-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG ALDH1A1 3641/4885CHRNB2 2968/4885CHRNA4 2947/4885
US-20160128945-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG ALDH1A1 3641/4885CHRNB2 2968/4885CHRNA4 2947/4885
US-20100278911-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG ALDH1A1 3641/4885CHRNB2 2968/4885CHRNA4 2947/4885
US-20100285120-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG ALDH1A1 3641/4885CHRNB2 2968/4885CHRNA4 2947/4885
US-20140186449-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG ALDH1A1 3641/4885CHRNB2 2968/4885CHRNA4 2947/4885
US-20140186448-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG ALDH1A1 3641/4885CHRNB2 2968/4885CHRNA4 2947/4885

“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.