SCHEMBL222762

SCHEMBL222762

CCC(C)CCOC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.57
CHRNA4 P43681 6/20 0.57
CHRNB4 P30926 3/20 0.57
CHRNA3 P32297 3/20 0.57
ALOX15 P16050 2/20 0.46
LMNA P02545 5/20 0.43
TSHR P16473 4/20 0.43
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
HTR1A P08908 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNA7 P36544 1/20 0.43
HSD17B10 Q99714 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL28397823 0.88 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
Urethane SCHEMBL28879515 0.83 ALOX15 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL30889172 0.83 ALOX15 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL3088928 0.82 ALDH1A1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL11126001 0.81 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL14400108 0.80 ALOX15 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL4840226 0.80 ALOX15 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL6720485 0.80 ALOX15 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL4444751 0.80 ALOX15 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL1463418 0.80 ALOX15 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755949-B1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-10-21 EP disclosed
US-9090600-B2 Fungicidal 4-substituted-3-{phenyl[(heterocyclylmethoxy)imino]methyl}-1,2,4-oxadizol-5(4H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 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-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 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-20140221391-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-20140221392-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
EP-2623492-B1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-05-14 EP disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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 (4 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 CHRNB2 4841/4885CHRNA4 4543/4885CHRNB4 4807/4885
US-20140221392-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 CHRNB2 1702/4885CHRNA4 2342/4885CHRNB4 2302/4885
US-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES CYP4X1, CYP4B1, CYP4Z1 CHRNB2 2541/4885CHRNA4 978/4885CHRNB4 1339/4885
US-20140221391-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 CHRNB2 1702/4885CHRNA4 2342/4885CHRNB4 2302/4885

“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.