SCHEMBL225621

SCHEMBL225621

CC(C)(C)CCOC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 3/20 0.48
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
HTR1A P08908 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRNA7 P36544 1/20 0.48
ALOX15 P16050 1/20 0.46
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
ADRA1A P35348 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL13617276 0.86 ALOX15 (0.48) LMNAHSD17B10TSHRCHRM2CHRM4
SCHEMBL11287294 0.84 ALOX15 (0.46) LMNAHSD17B10TSHRCHRM2CHRM4
SCHEMBL28130284 0.83 LMNA (0.47) LMNAHSD17B10TSHRCHRM2CHRM4
SCHEMBL28525251 0.82 ALOX15 (0.44) LMNAHSD17B10TSHRCHRM2CHRM4
SCHEMBL28904971 0.82 ALOX15 (0.44) LMNAHSD17B10TSHRCHRM2CHRM4
SCHEMBL29163515 0.82 ALOX15 (0.44) LMNAHSD17B10TSHRCHRM2CHRM4
SCHEMBL12707826 0.81 LMNA (0.45) LMNAHSD17B10TSHRCHRM2CHRM4
SCHEMBL30889154 0.80 LMNA (0.34) LMNAHSD17B10CYP2C19EGFR
SCHEMBL31348354 0.79 LMNA (0.44) LMNAHSD17B10TSHRCHRM2CHRM4
SCHEMBL30559860 0.79 LMNA (0.48) LMNAHSD17B10TSHRCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024094637-A1 PROCESS FOR THE PREPARATION OF CYCLIC KETONES ARXADA AG (CH) 2024-05-10 WO disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
US-20230058971-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY Graybug Vision, Inc. (US) 2023-02-23 US disclosed
US-20220409536-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2022-12-29 US disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
CN-109970743-B 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds as JAK inhibitors 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed
CN-112996567-A Imidazo [4,5-C ] quinoline-derived NLRP 3-modulators 先天肿瘤免疫公司 2021-06-18 CN disclosed
CN-112521387-A NLRP3 modulators 先天肿瘤免疫公司 2021-03-19 CN disclosed
CN-112424188-A Pyridazinones as PARP7 inhibitors 里邦医疗公司 2021-02-26 CN disclosed
CN-112074516-A NLRP3 modulators 先天肿瘤免疫公司 2020-12-11 CN disclosed
EP-1674454-A1 SUBSTITUTED 2-AMINO- 1,2,4 TRIAZOLO 1,5-a PYRIMIDINE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-06-28 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
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 (3 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-20230058971-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY CHMP4B, EXOSC9, EXOSC5 LMNA 1928/4885HSD17B10 3749/4885TSHR 1714/4885
US-20220409536-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS LNPK, PLTP, PLIN3 LMNA 1539/4885HSD17B10 4122/4885TSHR 3089/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 LMNA 3977/4885HSD17B10 591/4885TSHR 600/4885

“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.