SCHEMBL645688

SCHEMBL645688

CC(C)(C)OC(=O)c1ccc(Br)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GABRG2 P18507 13/20 0.46
GABRB3 P28472 13/20 0.46
GABRA1 P14867 12/20 0.46
GABRA2 P47869 12/20 0.46
GABRA5 P31644 12/20 0.46
GABRA3 P34903 11/20 0.46
GABRA6 Q16445 10/20 0.46
GABRA4 P48169 5/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRE P78334 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
MAPK1 P28482 1/20 0.42
DGAT1 O75907 1/20 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
SCHEMBL31407736 1.00 KDM4E (0.55) KDM4EALDH1A1GABRG2GABRB3GABRA1
SCHEMBL13177597 0.87 KDM4E (0.51) KDM4EALDH1A1GABRG2GABRB3GABRA1
SCHEMBL27141575 0.84 KDM4E (0.49) KDM4EALDH1A1GABRG2GABRB3GABRA1
SCHEMBL13732052 0.82 GABRG2 (0.49) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL8037078 0.81 GABRG2 (0.47) KDM4EALDH1A1GABRG2GABRB3GABRA1
SCHEMBL30978460 0.80 MAPK1 (0.65) KDM4EALDH1A1GABRG2GABRB3GABRA1
SCHEMBL109364 0.80 MAPK1 (0.65) KDM4EALDH1A1GABRG2GABRB3GABRA1
SCHEMBL31723056 0.79 GABRG2 (0.57) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL30556510 0.79 GABRG2 (0.46) ALDH1A1GABRG2GABRB3GABRA1GABRA2
SCHEMBL15956221 0.79 GABRG2 (0.46) ALDH1A1GABRG2GABRB3GABRA1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323601-B 2- (3-Pyridin-2-yl-4-quinolin-4-yl-pyrazol-1-yl) -acetamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 阿戈麦布西班牙股份有限公司 2026-05-12 CN disclosed
EP-3710428-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2026-03-25 EP disclosed
US-12577228-B2 Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds UCB Biopharma SRL (BE) 2026-03-17 US disclosed
US-12577230-B2 2-(3-pyridin-2-yl-4-quinolin-4-yl-pyrazol-1-yl)- acetamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 AGOMAB SPAIN S.L.U. (ES) 2026-03-17 US disclosed
EP-4695226-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2026-02-18 EP disclosed
EP-4695271-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA Merck Sharp & Dohme LLC (US) 2026-02-18 EP disclosed
EP-4081296-B1 DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS UCB Biopharma SRL (BE) 2026-02-11 EP disclosed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
WO-2025262297-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 DARK BLUE THERAPEUTICS LTD (GB) 2025-12-26 WO disclosed
EP-4667467-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 Dark Blue Therapeutics Ltd (GB) 2025-12-24 EP disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1789410-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-05-30 EP disclosed
EP-1756104-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS Pfizer Limited (GB) 2007-02-28 EP disclosed
US-20060247227-A1 Substituted piperidines as histamine h3 receptor ligands BAILEY JAMES M 2006-11-02 US disclosed
EP-1646620-A1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2006029906-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-03-23 WO disclosed
WO-2005111036-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS PFIZER LIMITED (GB) 2005-11-24 WO disclosed
US-20050256135-A1 Tetrahydronaphthyridine derivatives LUNN GRAHAM 2005-11-17 US disclosed
EP-1595881-A1 Tetrahydronaphthyridine derivates useful as histamine H3 receptor ligands Pfizer Limited (GB) 2005-11-16 EP disclosed
WO-2005014571-A1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-02-17 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 (6 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-12577230-B2 2-(3-pyridin-2-yl-4-quinolin-4-yl-pyrazol-1-yl)- acetamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 TGFBR1, TGFBR2, ACVR1 KDM4E 3557/4885ALDH1A1 944/4885GABRG2 998/4885
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B KDM4E 1975/4885ALDH1A1 1805/4885GABRG2 208/4885
US-20050256135-A1 Tetrahydronaphthyridine derivatives HRH4, HRH3, HRH1 KDM4E 3118/4885ALDH1A1 538/4885GABRG2 1242/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 KDM4E 671/4885ALDH1A1 2330/4885GABRG2 2305/4885
US-12577228-B2 Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds FCGR2A, FCER2, FCGR1A KDM4E 2965/4885ALDH1A1 2200/4885GABRG2 560/4885
US-20060247227-A1 Substituted piperidines as histamine h3 receptor ligands HRH3, HRH4, HRH1 KDM4E 896/4885ALDH1A1 2611/4885GABRG2 275/4885

“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.