SCHEMBL2961541

SCHEMBL2961541

COC(=O)[C@H]1C[C@@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42
GABRR1 P24046 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL1298063 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1298064 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL2961543 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL2957502 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL2851892 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1297864 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1297660 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL5776911 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL6160001 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL2518872 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630525-B2 Triazinylmethylcycloalkylcarboxylic acid derivative, and pharmaceutical composition and use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2026-05-19 US disclosed
EP-4349816-A1 TRIAZINYLMETHYLCYCLOALKYLCARBOXYLIC ACID DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2024-04-10 EP disclosed
CN-117425643-A Triazinylmethyl cycloalkyl carboxylic acid derivatives, pharmaceutical compositions and uses thereof 上海海雁医药科技有限公司 2024-01-19 CN disclosed
EP-3130583-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2024-01-03 EP disclosed
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-11-30 US disclosed
CN-117098763-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2023-11-21 CN disclosed
EP-4274832-A1 TYK2 INHIBITORS Biogen MA Inc. (US) 2023-11-15 EP disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 US disclosed
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ENLIVEN INC. (US) 2023-09-26 US disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
EP-1632483-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2006-03-08 EP disclosed
EP-1362039-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2005-12-21 EP disclosed
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2005-05-19 US disclosed
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor AVENTIS PHARMACEUTICAL INC. (US) 2004-11-04 US disclosed
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US disclosed
EP-1361875-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2003-11-19 EP disclosed
WO-2002066469-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO disclosed
US-6399615-B1 HALOGENATED BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-11-YLIDENE) -1-PIPERIDINES THAT BLOCK PHENOTYPIC CHANGE AND INTRACELLULAR PROCESSING OF RAS OF FARNESYL BUT NOT OF GERANYLGERANYL ACCEPTOR SCHERING CORPORATION 2002-06-04 US disclosed
EP-0991637-B1 BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORP (US) 2002-05-29 EP disclosed
US-6159984-A Farnesyl protein transferase inhibitors SCHERING CORPORATION (US) 2000-12-12 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 (8 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-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 CYP3A4 1290/4885CYP1A2 1008/4885CYP2D6 851/4885
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR CYP3A4 3060/4885CYP1A2 2919/4885CYP2D6 2057/4885
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR CYP3A4 3060/4885CYP1A2 2919/4885CYP2D6 2057/4885
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ABL1, ABL2, BCR CYP3A4 3060/4885CYP1A2 2919/4885CYP2D6 2057/4885
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 CYP3A4 1223/4885CYP1A2 959/4885CYP2D6 900/4885
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor DRD3, DRD2, DRD1 CYP3A4 912/4885CYP1A2 785/4885CYP2D6 569/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 CYP3A4 829/4885CYP1A2 3169/4885CYP2D6 2809/4885
US-12630525-B2 Triazinylmethylcycloalkylcarboxylic acid derivative, and pharmaceutical composition and use thereof P2RX3, P2RX1, P2RX2 CYP3A4 476/4885CYP1A2 553/4885CYP2D6 272/4885

“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.