SCHEMBL3466529

SCHEMBL3466529

BrC/C=C/c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
CYP2A6 P11509 1/20 0.40
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38

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
SCHEMBL3466530 1.00 CYP2C19 (0.43) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL18821936 0.89 ALDH1A1 (0.41) ALDH1A1CYP3A4IDO1
SCHEMBL256057 0.78 CYP2C19 (0.47) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL119646 0.78 ALDH1A1 (0.52) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL2093236 0.78 GRIK1 (0.45) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL2451125 0.78 NFE2L2 (0.50) GRIK1GRIK2
SCHEMBL9714638 0.78 ALDH1A1 (0.52) ALDH1A1GRIK1GRIK2CYP3A4IDO1
SCHEMBL1046101 0.78 CYP2C19 (0.42) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL7631405 0.78 CYP2C19 (0.42) CYP2C19KDM4EALDH1A1HPGDRAB9A
SCHEMBL5230246 0.78 CYP2C19 (0.42) CYP2C19KDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132144-A1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-05-14 US disclosed
EP-4446309-A2 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2024-10-16 EP disclosed
EP-3908587-B1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS EISAI R&D MAN CO LTD (JP) 2024-05-22 EP disclosed
US-20220112207-A1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-04-14 US disclosed
EP-3908587-A1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2021-11-17 EP disclosed
CN-113661166-A Process for the synthesis of diazabicyclo [6.2.0] decane-related compounds 卫材R&D管理有限公司 2021-11-16 CN disclosed
WO-2020146568-A1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-07-16 WO disclosed
WO-2011137220-A1 SMALL MOLECULE NEUROPEPTIDE S ANTAGONISTS FOR THE TREATMENT OF ADDICTIVE DISORDERS, MOOD, ANXIETY AND SLEEP DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-03 WO disclosed
WO-2010070076-A1 ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2010-06-24 WO disclosed
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 US disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO disclosed
EP-0868178-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2000-03-29 EP disclosed
EP-0868178-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-10-07 EP disclosed
US-5756507-A TREATING SEX HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-05-26 US disclosed
WO-1997021435-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed
US-5597776-A ANTAGONIST FOR HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-01-28 US disclosed
US-5378677-A Applying with cyclohexenone derivative BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
EP-0552493-A1 Thiochromenone derivatives as antidotes and herbicidal agents containing them BASF Aktiengesellschaft (DE) 1993-07-28 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-20220112207-A1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS AZI2, DECR1, DDT CYP2C19 16/4885KDM4E 1433/4885ALDH1A1 1263/4885
US-20260132144-A1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS CYP2C9, ODC1, AOC2 CYP2C19 43/4885KDM4E 2711/4885ALDH1A1 770/4885
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO CYP2C19 996/4885KDM4E 2275/4885ALDH1A1 312/4885

“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.