SCHEMBL439125

SCHEMBL439125

COC(=O)[C@H]1CC[C@@H](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
SCHEMBL407796 1.00 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL439126 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226321-B Pyrazolyl compounds and methods of use thereof 阿利安制药有限责任公司 2024-12-17 CN disclosed
EP-3240572-B1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity ARRIEN PHARMACEUTICALS LLC (US) 2021-07-06 US disclosed
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
US-10676471-B2 Cycloalkyl-linked diheterocycle derivatives PFIZER INC. (US) 2020-06-09 US disclosed
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF ARRIEN PHARMACEUTICALS LLC 2020-04-30 US disclosed
CN-106232598-B Cycloalkyl-linked diheterocyclic derivatives 辉瑞公司 2020-03-13 CN disclosed
EP-3556757-A1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES Pfizer Inc (US) 2019-10-23 EP disclosed
EP-3137460-B1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES PFIZER (US) 2019-10-23 EP disclosed
US-20190270737-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2019-09-05 US disclosed
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-05-29 US disclosed
US-20140100250-A1 PYRIDYL AMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-04-10 US 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
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
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-2009138386-A2 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
EP-0933993-B1 SUBSTITUTED CYCLOPENTANE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2006-04-05 EP disclosed
EP-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP disclosed
US-6410594-B1 VIRICIDES BIOCRYST PHARMACEUTICALS, INC. 2002-06-25 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 (9 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-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity MELK, TK1, DCK CHRNB2 4080/4885CHRNA4 4579/4885CHRNB4 4217/4885
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-20140100250-A1 PYRIDYL AMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK CHRNB2 1890/4885CHRNA4 1834/4885CHRNB4 1918/4885
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK CHRNB2 3283/4885CHRNA4 3555/4885CHRNB4 3539/4885
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF PAICS, MCL1, TP53 CHRNB2 4728/4885CHRNA4 4814/4885CHRNB4 4757/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT CHRNB2 3934/4885CHRNA4 2874/4885CHRNB4 4077/4885
US-20190270737-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 CHRNB2 4482/4885CHRNA4 4746/4885CHRNB4 4564/4885
US-10676471-B2 Cycloalkyl-linked diheterocycle derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 CHRNB2 4482/4885CHRNA4 4746/4885CHRNB4 4564/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A CHRNB2 2469/4885CHRNA4 2105/4885CHRNB4 3211/4885

“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.