SCHEMBL6281982

SCHEMBL6281982

CC(C)(C)OC(=O)N1CCN(c2nc(OCc3cccc(Cl)c3)cnc2Br)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
GPR119 Q8TDV5 6/20 0.46
TLR9 Q9NR96 3/20 0.44
TLR7 Q9NYK1 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
ACHE P22303 1/20 0.42
CHRM4 P08173 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
FPR3 P25089 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL6282166 0.91 MAPK1 (0.48) MAPK1GPR119TLR9TLR7SMN1; SMN2
SCHEMBL6287248 0.90 MAPK1 (0.47) MAPK1GPR119TLR9TLR7SMN1; SMN2
SCHEMBL6283077 0.89 MAPK1 (0.47) MAPK1GPR119TLR9TLR7SMN1; SMN2
SCHEMBL6278765 0.89 MAPK1 (0.47) MAPK1GPR119TLR9TLR7SMN1; SMN2
SCHEMBL6285188 0.84 CKS1B (0.50) MAPK1GPR119TLR9TLR7SMN1; SMN2
SCHEMBL6286362 0.84 HTR2A (0.63) MAPK1GPR119SMN1; SMN2MAPTHTR2A
SCHEMBL6284838 0.78 CKS1B (0.52) MAPK1GPR119TLR9TLR7SMN1; SMN2
SCHEMBL6281973 0.78 GPR119 (0.50) MAPK1GPR119TLR9TLR7SMN1; SMN2
SCHEMBL6278910 0.77 CKS1B (0.50) MAPK1GPR119SMN1; SMN2MAPTHTR2A
SCHEMBL6285775 0.74 CKS1B (0.47) MAPK1GPR119TLR9TLR7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 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 (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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A MAPK1 3451/4885GPR119 54/4885TLR9 1363/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A MAPK1 3451/4885GPR119 54/4885TLR9 1363/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A MAPK1 3195/4885GPR119 61/4885TLR9 1311/4885

“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.