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SCHEMBL3022755

SCHEMBL3022755

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(F)c(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 2/20 0.69
▸ ABCC8 Q09428 2/20 0.69
▸ KCNJ11 Q14654 2/20 0.69
▸ KCNJ8 Q15842 2/20 0.69
▸ ABCC1 P33527 1/20 0.64
▸ KDM4E B2RXH2 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ LMNA P02545 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ CACNA1F O60840 4/20 0.57
▸ CACNA1D Q01668 4/20 0.57
▸ CACNA1S Q13698 4/20 0.57
▸ CACNA1C Q13936 4/20 0.57
▸ ADORA3 P0DMS8 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MTOR P42345 1/20 0.53

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
SCHEMBL8214827 0.86 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8ABCC1
SCHEMBL3024530 0.84 TSHR (0.53) ABCC9ABCC8KCNJ11KCNJ8ABCC1
SCHEMBL7817206 0.82 KDM4E (0.88) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL7594699 0.81 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7017793 0.81 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8ABCC1
SCHEMBL3029762 0.81 KDM4E (0.76) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL3017205 0.81 KDM4E (0.76) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL3030379 0.80 MTOR (0.53) ABCC9ABCC8KCNJ11KCNJ8ABCC1
SCHEMBL3016370 0.79 CACNA1F (0.66) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL3032551 0.79 CACNA1F (0.66) ABCC1KDM4EALDH1A1TSHRSMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 — — US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 — — US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 — — US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 — — US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 — — US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 — — US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 — — US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 — — US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 — — US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 — — US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 — — US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 — — US disclosed
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 — — EP disclosed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 — — WO 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 (7 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 ABCC9 1115/4885ABCC8 1270/4885KCNJ11 3332/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC9 382/4885ABCC8 505/4885KCNJ11 1925/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC9 382/4885ABCC8 505/4885KCNJ11 1925/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC9 382/4885ABCC8 505/4885KCNJ11 1925/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCC9 382/4885ABCC8 505/4885KCNJ11 1925/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCC9 382/4885ABCC8 505/4885KCNJ11 1925/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCC9 382/4885ABCC8 505/4885KCNJ11 1925/4885

“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.