SCHEMBL3396869

SCHEMBL3396869

O=C(O)C1=CNCC(C(=O)O)=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
SLC6A1 P30531 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36

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
Hydrochloric Acid SCHEMBL7218922 0.98 BLM (0.38) TSHRSLC6A1SLC6A13GABRPGABRD
SCHEMBL1286825 0.65 TSHR (0.40) TSHRSLC6A1SLC6A13GABRPGABRD
SCHEMBL8993949 0.64
SCHEMBL2301074 0.62
SCHEMBL5912729 0.62
SCHEMBL1355416 0.62 TSHR (0.42) TSHRSLC6A1SLC6A13GABRPGABRD
SCHEMBL6544012 0.62 GABRP (0.33) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL1812431 0.62 TSHR (0.33) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL17597680 0.61 BLM (0.41) TSHRSLC6A1SLC6A13GABRPGABRD
SCHEMBL7648980 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12233053-B2 Adenosine A3 receptor antagonists for treating aging skin and wounds ORADIN PHARMACEUTICAL LTD. (IL) 2025-02-25 US claimed
CN-114200499-A Method for detecting irradiation dose distribution and irradiation-resistant composition 上海珀利医用材料有限公司 2022-03-18 CN claimed
EP-2229167-A1 MINERALOCORTICOID RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2010-09-22 EP claimed
WO-2009078934-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2009-06-25 WO claimed
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 EP claimed
US-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2025-06-05 US disclosed
US-20250101104-A1 BISPECIFIC MOLECULE WITH TUNABLE AFFINITY TO A TARGETED ANTIGEN MABSWITCH INC (US) 2025-03-27 US disclosed
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation TUFTS MEDICAL CENTER (US) 2024-08-13 US disclosed
US-20240139205-A1 MODULATORS OF ARALAR FOR TREATING NEUROLOGICAL DISORDERS UNIVERSITE DE LAUSANNE (CH) 2024-05-02 US disclosed
WO-2024069007-A2 IMMUNOSUPPRESSIVE COMPOUNDS UNIVERSITÄT BASEL (CH) 2024-04-04 WO disclosed
US-20230330126-A1 MODIFIED ADENOSINE NUCLEOSIDE FOR USE IN THE TREATMENT OF VIRAL INFECTIONS IACHETTINI GIAMPIETRO (IT) 2023-10-19 US disclosed
EP-0371492-A2 Process for the preparation of 1,4-dihydropyridine derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-06-06 EP disclosed
EP-0324626-A1 1,4-Dihydropyridine derivatives Korea Research Institute of Chemical Technology (KR) 1989-07-19 EP disclosed
US-4769465-A Process for the preparation of 2-(N-benzyl-N-methylamino)-ethyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and its hydrochloride salt LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) 1988-09-06 US disclosed
US-4637887-A TRIGLYCERIDES CONTAINING HYDROXY FATTY ACID RESIDUES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-01-20 US disclosed
EP-0197488-A2 1,4-Dihydropyiridine derivative, a process for preparing the same, a pharmaceutical composition as well as the use thereof Eisai Co., Ltd. (JP) 1986-10-15 EP disclosed
EP-0161877-A2 1,4-dihydropyridine derivatives, methods for their production and pharmaceutical compositions comprising the same FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1985-11-21 EP disclosed
US-4483985-A ALKALINE HYDROLYSIS OF ESTER GROUP BAYER AKTIENGESELLSCHAFT (DE) 1984-11-20 US disclosed
US-4285955-A CARDIOTONIC, HYPOTENSIVE, AND ANTISPASMOTIC AGENTS; VASODILATION BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 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 (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-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN8A, SCN1B, SCN3A TSHR 1088/4885SLC6A1 198/4885SLC6A13 475/4885
US-20240139205-A1 MODULATORS OF ARALAR FOR TREATING NEUROLOGICAL DISORDERS CYFIP1, GABARAPL1, GABRR1 TSHR 4071/4885SLC6A1 211/4885SLC6A13 220/4885
US-20230330126-A1 MODIFIED ADENOSINE NUCLEOSIDE FOR USE IN THE TREATMENT OF VIRAL INFECTIONS ADORA2A, ADORA3, ADORA2B TSHR 1545/4885SLC6A1 4673/4885SLC6A13 4430/4885
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG TSHR 895/4885SLC6A1 4503/4885SLC6A13 4526/4885
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation LIPG, CD40, LDLR TSHR 1094/4885SLC6A1 4853/4885SLC6A13 4822/4885

“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.