SCHEMBL3206164

SCHEMBL3206164

CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)=C(CO)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ESR2 Q92731 1/20 0.47
MKNK1 Q9BUB5 2/20 0.44
STS P08842 2/20 0.44
NR1H2 P55055 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
VEGFA P15692 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39

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
SCHEMBL22325181 0.91 MEN1 (0.50) MEN1KMT2AESR2MKNK1STS
SCHEMBL26648112 0.91 MEN1 (0.47) MEN1KMT2AESR2MKNK1STS
SCHEMBL16141391 0.89 GPR119 (0.47) MEN1KMT2AESR2MKNK1NR1H2
SCHEMBL3199018 0.88 ESR2 (0.48) MEN1KMT2AESR2MKNK1STS
SCHEMBL16045971 0.88 GPR119 (0.46) ESR2NR1H2GPR119MAPTMAPK1
SCHEMBL3184176 0.87 ESR2 (0.47) MEN1KMT2AESR2NR1H2HTT
SCHEMBL18617960 0.87 MAPT (0.49) ESR2STSNR1H2HTTSMN1; SMN2
SCHEMBL3197302 0.84 GPR119 (0.49) ESR2NR1H2GPR119MAPT
SCHEMBL3025220 0.84 MEN1 (0.50) MEN1KMT2AESR2MKNK1STS
SCHEMBL26648395 0.83 MEN1 (0.47) MEN1KMT2AESR2MKNK1STS

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169628-A1 THERAPEUTIC AGENTS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-06-02 US disclosed
EP-3920923-A2 THERAPEUTIC AGENTS AND METHODS OF TREATMENT University of Florida Research Foundation, Incorporated (US) 2021-12-15 EP disclosed
WO-2020163823-A2 THERAPEUTIC AGENTS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-08-13 WO disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
EP-2064186-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE Glaxo Group Limited (GB) 2009-06-03 EP disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 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-20080114049-A1 CHEMICAL COMPOUNDS SLC6A2, HTR3C, SLC6A3 MEN1 1679/4885KMT2A 2449/4885ESR2 2388/4885
US-20220169628-A1 THERAPEUTIC AGENTS AND METHODS OF TREATMENT HDGF, NFATC1, HGF MEN1 2784/4885KMT2A 3990/4885ESR2 110/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 MEN1 1464/4885KMT2A 2129/4885ESR2 2047/4885

“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.