SCHEMBL6281973

SCHEMBL6281973

CC(C)(C)OC(=O)N1CCN(c2c[n+]([O-])cc(OCc3cccc(Cl)c3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
MAPK1 P28482 1/20 0.44
ACHE P22303 1/20 0.44
CHRM4 P08173 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
FPR3 P25089 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1E P28566 1/20 0.44
GPR183 P32249 1/20 0.44
HTR7 P34969 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL6286362 0.85 HTR2A (0.63) GPR119SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL6282166 0.79 MAPK1 (0.48) GPR119SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL6284838 0.79 CKS1B (0.52) GPR119SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL906155 0.79 HTR2C (0.69) HTR2AHTR2CHTR2BCHRM4ADRB1
SCHEMBL6287248 0.79 MAPK1 (0.47) GPR119SMN1; SMN2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6286481 0.78 HTR2C (0.69) HTR2AHTR2CHTR2BCHRM4ADRB1
SCHEMBL6278910 0.78 CKS1B (0.50) GPR119SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL6283077 0.78 MAPK1 (0.47) GPR119SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL6285188 0.78 CKS1B (0.50) GPR119SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL6281982 0.78 MAPK1 (0.47) GPR119SMN1; SMN2HTR2AHTR2CHTR2B

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 GPR119 54/4885SMN1; SMN2 1737/4885HTR2A 1/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A GPR119 54/4885SMN1; SMN2 1737/4885HTR2A 1/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A GPR119 61/4885SMN1; SMN2 1585/4885HTR2A 2/4885

“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.