SCHEMBL264989

SCHEMBL264989

O=C(OCc1ccccc1)N(CCBr)CCBr

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.58
PAX8 Q06710 1/20 0.58
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
P2RX4 Q99571 2/20 0.45
P2RX1 P51575 1/20 0.45
P2RX3 P56373 1/20 0.45
LMNA P02545 3/20 0.45
HCAR2 Q8TDS4 1/20 0.45
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42

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
SCHEMBL554069 0.84 CCR6 (0.64) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL6752508 0.84 CCR6 (0.45) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL1190633 0.83 ALDH1A1 (0.51) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL9142898 0.83 CCR6 (0.56) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL31584168 0.83 CCR6 (0.58) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL31629174 0.83 CCR6 (0.62) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL15841147 0.83 CCR6 (0.62) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL2924379 0.83 CCR6 (0.58) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL3083608 0.83 CCR6 (0.58) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL5557184 0.83 CCR6 (0.58) CCR6PAX8ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950682-B1 PREPARATION METHOD FOR AMIDE COMPOUNDS AND USE THEREOF IN MEDICAL FIELD SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO LTD (CN) 2026-02-11 EP disclosed
US-12473298-B2 Amide compounds, preparation method therefor, and use thereof in the medical field SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD. (CN) 2025-11-18 US disclosed
WO-2024179529-A1 SUBSTITUTED TRICYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海海雁医药科技有限公司 2024-09-06 WO disclosed
EP-3950682-A1 PREPARATION METHOD FOR AMIDE COMPOUNDS AND USE THEREOF IN MEDICAL FIELD Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2022-02-09 EP disclosed
US-20220024941-A1 Preparation Method for Amide Compounds and Use Thereof in Medical Field SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD. (CN) 2022-01-27 US disclosed
WO-2020192652-A1 PREPARATION METHOD FOR AMIDE COMPOUNDS AND USE THEREOF IN MEDICAL FIELD 上海华汇拓医药科技有限公司 2020-10-01 WO disclosed
WO-2013094581-A1 NOVEL CAMPTOTHECIN DERIVATIVE 株式会社ヤクルト本社 (JP) 2013-06-27 WO disclosed
US-8133871-B2 Dihydropseudoerythromycin derivatives THE KITASATO INSTITUTE (JP) 2012-03-13 US disclosed
EP-1950219-B1 NOVEL DIHYDROPSEUDOERYTHROMYCIN DERIVATIVES KITASATO INST (JP) 2011-06-22 EP disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha DUAN JINGWU (US) 2004-04-15 US disclosed
US-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha DUAN JINGWU (US) 2004-04-15 US disclosed
EP-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 EP disclosed
EP-0787739-B1 Anti-adhesive piperidine and pyrollidine -carboxylic acids GLYCOREX AB (SE) 2003-01-29 EP disclosed
US-6495565-B2 FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
US-5739300-A Antiadhesive piperidine-and pyrrolidinecarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0787739-A1 Anti-adhesive piperidine and pyrollidine -carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-06 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 (5 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-20220024941-A1 Preparation Method for Amide Compounds and Use Thereof in Medical Field EZH2, EZH1, IKZF2 CCR6 2769/4885PAX8 248/4885ALDH1A1 2893/4885
US-12473298-B2 Amide compounds, preparation method therefor, and use thereof in the medical field EZH2, IKZF2, EZH1 CCR6 3308/4885PAX8 163/4885ALDH1A1 2702/4885
US-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha TNF, XPNPEP1, MMP2 CCR6 2158/4885PAX8 4046/4885ALDH1A1 836/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 CCR6 2295/4885PAX8 4047/4885ALDH1A1 966/4885
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 CCR6 3906/4885PAX8 494/4885ALDH1A1 1908/4885

“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.