SCHEMBL5950982

SCHEMBL5950982

CC(=O)OCCNC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
EPHX1 P07099 1/20 0.45
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CXCR4 P61073 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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 SCHEMBL1066001 0.98 L3MBTL1 (0.55) L3MBTL1EPHX1KDM4EALDH1A1TDP1
SCHEMBL27923823 0.90 L3MBTL1 (0.42) L3MBTL1EPHX1KDM4EALDH1A1TDP1
SCHEMBL306905 0.83 L3MBTL1 (0.48) L3MBTL1EPHX1KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL31327376 0.82 L3MBTL1 (0.50) L3MBTL1EPHX1KDM4EALDH1A1TDP1
SCHEMBL18973529 0.81 EPHX1 (0.44) L3MBTL1EPHX1KDM4EALDH1A1CYP1A2
SCHEMBL5950988 0.81 L3MBTL1 (0.49) L3MBTL1EPHX1KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL1067742 0.80 L3MBTL1 (0.51) L3MBTL1EPHX1KDM4EALDH1A1TDP1
SCHEMBL16092908 0.78 L3MBTL1 (0.47) L3MBTL1EPHX1KDM4EALDH1A1TDP1
SCHEMBL25623301 0.78 L3MBTL1 (0.47) L3MBTL1EPHX1KDM4EALDH1A1TDP1
SCHEMBL4713945 0.78 ALDH1A1 (0.45) KDM4EALDH1A1TDP1SMN1; SMN2HTT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1602362-B1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE TAKEDA PHARMACEUTICAL (JP) 2016-09-28 EP disclosed
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-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
EP-1513527-B1 PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS TAKEDA PHARMACEUTICAL (JP) 2009-07-29 EP 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
US-20060159760-A1 Drug composition having active ingredient adhered at high concentration to spherical core AOYAMA & PARTNERS 2006-07-20 US disclosed
EP-1602362-A1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE Takeda Pharmaceutical Company Limited (JP) 2005-12-07 EP 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 L3MBTL1 4751/4885EPHX1 2986/4885KDM4E 3684/4885
US-20160128945-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG L3MBTL1 4751/4885EPHX1 2986/4885KDM4E 3684/4885
US-20100278911-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG L3MBTL1 4751/4885EPHX1 2986/4885KDM4E 3684/4885
US-20060159760-A1 Drug composition having active ingredient adhered at high concentration to spherical core SLC18A1, MAST1, ABCG2 L3MBTL1 4213/4885EPHX1 2578/4885KDM4E 1766/4885
US-20140186449-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG L3MBTL1 4751/4885EPHX1 2986/4885KDM4E 3684/4885
US-20140186448-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG L3MBTL1 4751/4885EPHX1 2986/4885KDM4E 3684/4885

“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.