SCHEMBL69462

SCHEMBL69462

COC(=O)C1CCC(C(=O)OC)NC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5419831 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8307970 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL8825031 0.98 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL8825028 0.98 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Acetic Acid SCHEMBL31187079 0.94 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5419834 0.89 CYP1A2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL9439033 0.89 CYP1A2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8825055 0.89 CYP1A2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8825045 0.89 CYP1A2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL406772 0.89 CYP1A2 (0.47) 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 WO disclosed
EP-3240542-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
WO-2024042834-A1 MIXED COMPOSITION, RETARDATION FILM, CIRCULARLY POLARIZING PLATE, PRODUCTION METHOD FOR MIXED COMPOSITION 住友化学株式会社 2024-02-29 WO disclosed
US-10130630-B2 BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-11-20 US disclosed
US-20170340631-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-30 US disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-5326874-A Intermediate for neuroleptic pyrido(1,2-a)pyrazines PFIZER INC. (US) 1994-07-05 US disclosed
EP-0586376-A1 PROCESS AND INTERMEDIATE FOR CERTAIN BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS. PFIZER (US) 1994-03-16 EP disclosed
WO-1993025552-A1 PROCESS AND INTERMEDIATES FOR BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1993-12-23 WO disclosed
EP-0573467-A1 NEUROLEPTIC PERHYDRO-1H-PYRIDO 1,2-a]PYRAZINES. PFIZER (US) 1993-12-15 EP disclosed
EP-0573464-A1 PROCESS FOR PREPARING TRANS-PIPERIDINE-2,5-DICARBOXYLATES. PFIZER (US) 1993-12-15 EP disclosed
US-5185449-A PROCESS AND INTERMEDIATE FOR CERTAIN BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1993-02-09 US disclosed
US-5157034-A Neuroleptic perhydro-1H-pyrido[1,2-a]pyrazines PFIZER INC. (US) 1992-10-20 US disclosed
WO-1992015575-A1 PROCESS AND INTERMEDIATE FOR CERTAIN BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1992-09-17 WO disclosed
WO-1992015561-A2 PROCESS FOR PREPARING TRANS-PIPERIDINE-2,5-DICARBOXYLATES PFIZER INC. (US) 1992-09-17 WO disclosed
WO-1992015580-A1 NEUROLEPTIC PERHYDRO-1H-PYRIDO[1,2-a]PYRAZINES PFIZER INC. (US) 1992-09-17 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-10130630-B2 BTK inhibitors BTK, SYK, LYN CHRNB2 4687/4885CHRNA4 4842/4885CHRNB4 4748/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CHRNB2 2685/4885CHRNA4 761/4885CHRNB4 1608/4885
US-20170340631-A1 BTK INHIBITORS BTK, SYK, LYN CHRNB2 4687/4885CHRNA4 4842/4885CHRNB4 4748/4885

“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.