SCHEMBL439126

SCHEMBL439126

COC(=O)C1CCC(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
ACE P12821 1/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42
TP53 P04637 1/20 0.41
BTK Q06187 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
BRD4 O60885 1/20 0.37
GABRR1 P24046 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 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
SCHEMBL439125 1.00 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL407796 1.00 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17099600 0.91 BTK (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL595592 0.91 BTK (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL595591 0.91 BTK (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17099599 0.91 BTK (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL595590 0.91 BTK (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24906947 0.91 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13738413 0.91 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2824374 0.91 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110878019-A Synthesis method of dicyclohexyl [2.1.1] hexane-1, 4-dicarboxylic acid dimethyl ester 苏州莱克施德药业有限公司 2020-03-13 CN claimed
WO-2025101892-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS AND USES THEREOF Astellas Engineered Small Molecules US, Incorporated (US) 2025-05-15 WO disclosed
WO-2025062334-A1 4-((5-(3-(4-(PYRIDIN-2-YL)CYCLOPENTYL)-1 H-PYRAZOL-3-YL)AMINO)-BENZENESULFONAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER BEIGENE SWITZERLAND GMBH (CH) 2025-03-27 WO disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
US-20250091983-A1 CYCLOPENTANE AND CYCLOHEXANE VARIANTS OF 6-PHENYLHEXANAMIDE MITOFUSIN ACTIVATORS AND METHODS FOR USE THEREOF MITOCHONDRIA EMOTION, INC. (US) 2025-03-20 US disclosed
CN-111471021-B Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2024-04-02 CN disclosed
CN-117659023-A Pyridine acetamide derivative, pharmaceutical composition containing same and medical application of pyridine acetamide derivative 苏州阿尔脉生物科技有限公司 2024-03-08 CN disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
EP-3240572-B1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20110269791-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
EP-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP disclosed
EP-1144365-A3 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed
US-6410594-B1 VIRICIDES BIOCRYST PHARMACEUTICALS, INC. 2002-06-25 US disclosed
EP-1144365-A2 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-10-17 EP disclosed
WO-2000037429-A2 INHIBITORS OF α4β1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-06-29 WO disclosed
US-4451463-A HISTAMINE ANTAGONIST, INHIBITOR OF GASTRIC ACID SECRETION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-29 US disclosed
EP-0061318-A2 Guanidinoheterocyclic derivatives as histamine H-2 antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-29 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 (4 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS CHRNB2 158/4885CHRNA4 534/4885CHRNB4 282/4885
US-20110269791-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use HSD11B1, CYP46A1, HSD11B2 CHRNB2 2009/4885CHRNA4 2177/4885CHRNB4 2124/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT CHRNB2 3934/4885CHRNA4 2874/4885CHRNB4 4077/4885
US-20250091983-A1 CYCLOPENTANE AND CYCLOHEXANE VARIANTS OF 6-PHENYLHEXANAMIDE MITOFUSIN ACTIVATORS AND METHODS FOR USE THEREOF COQ8A, PDF, HAGH CHRNB2 2776/4885CHRNA4 3422/4885CHRNB4 3430/4885

“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.