SCHEMBL1120178

SCHEMBL1120178

CC(C)(C)C(N)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37

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
SCHEMBL288806 1.00 SLC22A6 (0.39) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL636538 1.00 SLC22A6 (0.39) SLC22A6GABRR1LMNATDP1GABRP
Hydrochloric Acid SCHEMBL14321732 0.97 KDM4E (0.39) SLC22A6GABRR1LMNATDP1GABRP
Water SCHEMBL31634615 0.97 SLC22A6 (0.38) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL7344981 0.82 ADRA1A (0.40) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL289017 0.80 ALDH1A1 (0.50) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL5144229 0.80 ALDH1A1 (0.50) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL6776410 0.80 CYP2D6 (0.37) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL15774508 0.79 ECE1 (0.33) LMNATDP1ALDH1A1MAPTPTGS1
SCHEMBL13007435 0.79 ECE1 (0.33) LMNATDP1ALDH1A1MAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024022294-A9 SPIROCHIRAL PLATINUM(II) AND PALLADIUM(II) COMPLEX CIRCULARLY POLARIZED LUMINESCENT MATERIAL AND USE THEREOF 浙江工业大学 2024-09-26 WO disclosed
CN-117510547-A Spiro chiral platinum (II) and palladium (II) complex circularly polarized luminescent material and application thereof 浙江工业大学 2024-02-06 CN disclosed
WO-2024022294-A1 SPIROCHIRAL PLATINUM(II) AND PALLADIUM(II) COMPLEX CIRCULARLY POLARIZED LUMINESCENT MATERIAL AND USE THEREOF 浙江工业大学 2024-02-01 WO disclosed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
CN-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
CN-113004252-B Aryl imidazole derivative and application thereof 江苏先声药业有限公司 2023-06-09 CN disclosed
EP-3362451-B1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2023-04-12 EP disclosed
EP-3555095-B1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2023-04-12 EP disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 US disclosed
WO-2009134977-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. (US) 2009-11-05 WO disclosed
US-20090274713-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN INC. (US) 2009-11-05 US disclosed
EP-1896409-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS USEFUL FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS AstraZeneca AB (SE) 2008-03-12 EP disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
WO-2006137795-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS USEFUL FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
US-7098341-B2 Process for preparing haptens for immunoassay of phosphorothioate pesticides Lee, Yong-Tae (KR) 2006-08-29 US disclosed
WO-2005095325-A1 PROCESS FOR THE PREPARATION OF β-AMINOCARBOXYLIC ACIDS DEGUSSA AG (DE) 2005-10-13 WO disclosed
EP-1098888-A1 PIPERAZINONE DERIVATIVES AND THEIR USES LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000004000-A1 PIPERAZINONE DERIVATIVES AND THEIR USES LABORATOIRE L. LAFON (FR) 2000-01-27 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 (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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 SLC22A6 2717/4885GABRR1 557/4885LMNA 3314/4885
US-20090274713-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA SLC22A6 1588/4885GABRR1 787/4885LMNA 394/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 SLC22A6 2675/4885GABRR1 3153/4885LMNA 3232/4885

“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.