SCHEMBL5840448

SCHEMBL5840448

CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cn(C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
PDE4B Q07343 4/20 0.42
EPHX1 P07099 1/20 0.41
TACR1 P25103 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PIM1 P11309 1/20 0.40
MARK3 P27448 1/20 0.40
MAP4K2 Q12851 1/20 0.40
CAMK2B Q13554 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
RORC P51449 1/20 0.39
ACHE P22303 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
CNR2 P34972 1/20 0.38
MMP3 P08254 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
SCHEMBL5806807 1.00 L3MBTL1 (0.53) L3MBTL1PDE4BEPHX1TACR1CHRM2
SCHEMBL5840240 0.86 L3MBTL1 (0.49) L3MBTL1EPHX1PIM1MARK3MAP4K2
SCHEMBL5840377 0.84 L3MBTL1 (0.53) L3MBTL1EPHX1PIM1MARK3MAP4K2
SCHEMBL5805921 0.82 L3MBTL1 (0.47) L3MBTL1PDE4BEPHX1TACR1CHRM2
SCHEMBL31449892 0.81 PDE4B (0.45) L3MBTL1PDE4BTACR1RORCCNR2
SCHEMBL31449726 0.81 PDE4B (0.45) L3MBTL1PDE4BTACR1RORCCNR2
SCHEMBL5821047 0.80 TACR1 (0.56) PDE4BTACR1RORCPDE4APDE4C
SCHEMBL5806809 0.79 L3MBTL1 (0.39) L3MBTL1PDE4BEPHX1TACR1CHRM2
SCHEMBL31449799 0.77 PDE4B (0.44) PDE4BTACR1RORCPDE4APDE4C
SCHEMBL31449882 0.77 PDE4B (0.44) PDE4BTACR1RORCBRD4PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138423-B2 Diseases mediated by tachykinins and for seritonin reuptake transporter protein as reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-20060020011-A1 Arylpyrrolidine derivatives as NK-1 /SSRI antagonists BRISTOL-MEYERS SQUIBB COMPANY 2006-01-26 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 (1 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-20060020011-A1 Arylpyrrolidine derivatives as NK-1 /SSRI antagonists TPH1, SLC6A4, HTR1D L3MBTL1 2793/4885PDE4B 2998/4885EPHX1 3686/4885

“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.