SCHEMBL1100205

SCHEMBL1100205

COc1cc(N)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
GAA P10253 4/20 0.46
HTR4 Q13639 3/20 0.44
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CRBN Q96SW2 1/20 0.41
ACHE P22303 2/20 0.41
KDM4E B2RXH2 2/20 0.40
NR1H4 Q96RI1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H2 P55055 1/20 0.39
HTR2A P28223 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
SCHEMBL31188292 0.88 ALDH1A1 (0.49) ALDH1A1GAAHTR4MAPTTSHR
SCHEMBL16423703 0.83 CYP1A2 (0.48) ALDH1A1GAAMAPTTSHRKDM4E
SCHEMBL16423275 0.83 ALDH1A1 (0.43) ALDH1A1GAANR1H4CYP1A2CYP2D6
SCHEMBL224165 0.83 ALDH1A1 (0.71) ALDH1A1GAAHTR4MAPTTSHR
SCHEMBL14859534 0.82 ACHE (0.46) ALDH1A1MAPTHTTACHEKDM4E
Hydrochloric Acid SCHEMBL7410231 0.81 ALDH1A1 (0.69) ALDH1A1GAAHTR4MAPTTSHR
SCHEMBL22091991 0.81 GABRG2 (0.42) ALDH1A1MAPTKDM4EKMT2A
SCHEMBL25942077 0.81 GPR27 (0.41) ALDH1A1GAAMAPTKDM4ECYP1A2
SCHEMBL28627930 0.81 GAA (0.58) ALDH1A1GAAMAPTTSHRMAPK1
SCHEMBL27947728 0.81 KDM4E (0.44) ALDH1A1GAAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4725944-A1 NEW METHOD FOR PREPARING OXOPYRIDINE COMPOUND, AND KEY INTERMEDIATE AND USE Chengdu Shibeikang Biomedical Technology Co., Ltd. (CN) 2026-04-15 EP disclosed
CN-116262736-B Novel oxo-pyridine compound and preparation method and application thereof 成都施贝康生物医药科技有限公司 2025-05-13 CN disclosed
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
CN-115066417-B Factor XIa inhibitors 上海京新生物医药有限公司 2025-05-02 CN disclosed
WO-2024251276-A1 NEW METHOD FOR PREPARING OXOPYRIDINE COMPOUND, AND KEY INTERMEDIATE AND USE 成都施贝康生物医药科技有限公司 2024-12-12 WO disclosed
CN-116874387-A Novel preparation method of oxo-pyridine compound and key intermediate 成都施贝康生物医药科技有限公司 2023-10-13 CN disclosed
CN-116751136-A Novel preparation method of oxo-pyridine compound and key intermediate 成都施贝康生物医药科技有限公司 2023-09-15 CN disclosed
CN-116262736-A Novel oxo-pyridine compound and preparation method and application thereof 成都施贝康生物医药科技有限公司 2023-06-16 CN disclosed
CN-115645543-A Maytansinoid derivatives, conjugates thereof, and methods of use 里珍纳龙药品有限公司 2023-01-31 CN disclosed
CN-115066417-A Factor XIa inhibitors 上海京新生物医药有限公司 2022-09-16 CN disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG ALDH1A1 128/4885GAA 149/4885HTR4 1413/4885
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 ALDH1A1 1399/4885GAA 4302/4885HTR4 170/4885
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use SLC10A1, HNMT, OGFR ALDH1A1 317/4885GAA 664/4885HTR4 523/4885

“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.