SCHEMBL222761

SCHEMBL222761

CCC(C)CCOC([NH])=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
CHRNB2 P17787 6/20 0.34
CHRNA4 P43681 6/20 0.34
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL3088928 0.82 ALDH1A1 (0.42) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14400108 0.80 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1463418 0.80 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4444751 0.80 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6720485 0.80 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4840226 0.80 ALOX15 (0.58) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL224099 0.79
SCHEMBL6720487 0.78 ALOX15 (0.39) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6790922 0.78 ALOX15 (0.39) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5836728 0.78 ALOX15 (0.39) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308838-B1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2016-02-17 EP disclosed
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-9051255-B2 Piperazinyl cyclohexane compounds as GPR38 agonists DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-09 US disclosed
US-9045423-B2 Prophylactic and/or therapeutic agent for anemia comprising tetrahydroquinoline compound as active ingredient KOWA COMPANY, LTD. (JP) 2015-06-02 US disclosed
US-20140249144-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2014-09-04 US disclosed
US-20140221392-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-20140221391-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-8791090-B2 Prophylactic and/or therapeutic agent for anemia comprising tetrahydroquinoline compound as active ingredient KOWA COMPANY, LTD. (JP) 2014-07-29 US disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
EP-2623492-B1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-05-14 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed
EP-0934938-B1 SUBSTITUTED BENZOYLAMINOTHIAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 2003-01-15 EP disclosed
US-6121301-A ADMINISTERING TO PREVENT OR TREAT GASTROINTESTINAL DYSMOTILITY; COMPOUNDS SUCH AS 2-((N-(3-CYANOBENZOYL)AMINO)-4-((3-DIISOPROPYLAMINOPROPYL)AMINOCARBONYL)-1,3-THIAZOLE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0934938-A1 SUBSTITUTED BENZOYLAMINOTHIAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 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 (5 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-20140249144-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 ALOX15 566/4885CHRNB2 4841/4885CHRNA4 4543/4885
US-20140221392-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 ALOX15 257/4885CHRNB2 1702/4885CHRNA4 2342/4885
US-20140221391-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 ALOX15 257/4885CHRNB2 1702/4885CHRNA4 2342/4885
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 ALOX15 2489/4885CHRNB2 1845/4885CHRNA4 1837/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALOX15 4178/4885CHRNB2 781/4885CHRNA4 544/4885

“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.