SCHEMBL406772

SCHEMBL406772

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ARG1 P05089 1/20 0.34

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
SCHEMBL9439033 1.00 CYP1A2 (0.47) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL8825050 1.00 CYP1A2 (0.47) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL8825045 1.00 CYP1A2 (0.47) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL8825052 1.00 CYP1A2 (0.47) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL8825055 1.00 CYP1A2 (0.47) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL5419831 0.89 CHRNB2 (0.46) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL8307970 0.89 CHRNB2 (0.46) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL69462 0.89 CHRNB2 (0.46) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
Acetic Acid SCHEMBL31187079 0.87 CHRNB2 (0.42) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL8825028 0.87 CHRNB2 (0.44) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
EP-4214214-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
CN-116171280-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-05-26 CN disclosed
WO-2022058920-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 WO disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
EP-0573467-B1 NEUROLEPTIC PERHYDRO-1H-PYRIDO 1,2-a]PYRAZINES PFIZER (US) 1995-05-31 EP disclosed
EP-0646116-A1 PROCESS AND INTERMEDIATES FOR BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1995-04-05 EP disclosed
EP-0607163-A1 NEUROLEPTIC 2-SUBSTITUTED PERHYDRO-1-H-PYRIDO 1,2a]PYRAZINES. PFIZER (US) 1994-07-27 EP disclosed
US-5326874-A Intermediate for neuroleptic pyrido(1,2-a)pyrazines PFIZER INC. (US) 1994-07-05 US 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
CN-1071167-A Perhydro--carotene 1H-pyrido [1, the 2-a] pyrazine compounds that neuroplegic 2-replaces PFIZER (US) 1993-04-21 CN disclosed
WO-1993006101-A1 NEUROLEPTIC 2-SUBSTITUTED PERHYDRO-1-H-PYRIDO[1,2a]PYRAZINES PFIZER INC. (US) 1993-04-01 WO disclosed
US-5157034-A Neuroleptic perhydro-1H-pyrido[1,2-a]pyrazines PFIZER INC. (US) 1992-10-20 US 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 (2 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-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 CYP1A2 2492/4885CYP2D6 3576/4885ALOX15 4090/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT CYP1A2 1288/4885CYP2D6 1264/4885ALOX15 824/4885

“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.