SCHEMBL3884124

SCHEMBL3884124

CCOc1cncc(C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA7 P36544 1/20 0.55
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
ALDH1A1 P00352 2/20 0.41
AKT1 P31749 4/20 0.40
ROCK2 O75116 3/20 0.40
MAP4K4 O95819 3/20 0.40
PRKACA P17612 3/20 0.40
ROCK1 Q13464 3/20 0.40
DYRK1A Q13627 3/20 0.40
PKN2 Q16513 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
STK17A Q9UEE5 3/20 0.40
DYRK3 O43781 2/20 0.40
PRKD3 O94806 2/20 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
SCHEMBL13540990 0.84 AKT1 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8184694 0.81 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25342440 0.81 AKT1 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25343081 0.81 AKT1 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3819558 0.80 CYP11B1 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25343307 0.79 AKT1 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL431059 0.79 MKNK2 (0.58) CHRNB2CHRNA4CYP11B1CYP11B2ALDH1A1
SCHEMBL30577108 0.79 MKNK2 (0.58) CHRNB2CHRNA4CYP11B1CYP11B2ALDH1A1
SCHEMBL25343580 0.78 AKT1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25344209 0.78 CHRNB2 (0.60) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777009-A Compound darmorkvir and application thereof 上海市重大传染病和生物安全研究院 2024-03-29 CN disclosed
CN-116940562-A Acetamido-phenylbenzamide derivatives and methods of use thereof 希华医药有限公司 2023-10-24 CN disclosed
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
WO-2022076662-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed
US-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 US disclosed
US-20210300900-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
EP-3810595-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
CN-112334462-A OGA inhibitor compounds 詹森药业有限公司 2021-02-05 CN disclosed
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
WO-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-6268378-B1 TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. MERCK & CO., INC. 2001-07-31 US disclosed
EP-1047425-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-11-02 EP disclosed
EP-1040111-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6066648-A USEFUL IN INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH MERCK & CO., INC. (US) 2000-05-23 US disclosed
US-6017926-A Integrin receptor antagonists MERCK & CO., INC. (US) 2000-01-25 US disclosed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
WO-1999031099-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
EP-0900200-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-03-10 EP disclosed
WO-1997040011-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R. J. REYNOLDS TOBACCO COMPANY (US) 1997-10-30 WO disclosed
US-5616716-A (3-(5-ethoxypyridin)yl)-alkenyl 1 amine compounds TARGACEPT, INC. 1997-04-01 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 (2 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-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, ABCC1, UGT2B7 CHRNB2 2571/4885CHRNA4 3576/4885CHRNB4 3293/4885
US-20210300900-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CHRNB2 1838/4885CHRNA4 1809/4885CHRNB4 1999/4885

“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.