SCHEMBL6357798

SCHEMBL6357798

CCCCCCCNCCc1cccc(CO)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.63
KCNH2 Q12809 2/20 0.50
ADRB2 P07550 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
PTGS2 P35354 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
OPRK1 P41145 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDE4D Q08499 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CYP2D6 P10635 4/20 0.49
CYP1A2 P05177 2/20 0.49

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
SCHEMBL16436972 0.86 CYP1A2 (0.62) SIGMAR1HRH3CYP2D6CYP1A2CYP2C19
SCHEMBL6743530 0.83 SIGMAR1 (0.66) SIGMAR1KCNH2ADRB2ADORA3CHRM1
SCHEMBL6272433 0.83 LPL (0.62) ADORA3CHRM1ADRA2BADRA2CSLC6A2
SCHEMBL19697582 0.83 SIGMAR1 (0.65) SIGMAR1KCNH2ADRB2ADORA3CHRM1
SCHEMBL9752244 0.83 SIGMAR1 (0.65) SIGMAR1KCNH2ADRB2ADORA3CHRM1
SCHEMBL7257290 0.81 LPL (0.61) ADORA3CHRM1ADRA2BADRA2CSLC6A2
SCHEMBL23073882 0.80 SIGMAR1 (0.96) SIGMAR1KCNH2ADRB2ADORA3CHRM1
SCHEMBL3996132 0.80 SIGMAR1 (0.96) SIGMAR1KCNH2ADRB2ADORA3CHRM1
SCHEMBL10802395 0.80 SIGMAR1 (0.96) SIGMAR1KCNH2ADRB2ADORA3CHRM1
SCHEMBL2322760 0.80 SIGMAR1 (0.96) SIGMAR1KCNH2ADRB2ADORA3CHRM1

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-20050075377-A1 PPAR compounds PFIZER INC 2005-04-07 US disclosed
EP-1372632-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20020169192-A1 PPAR compounds HAYWARD CHERYL M (US) 2002-11-14 US disclosed
WO-2002064130-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-08-22 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-20020169192-A1 PPAR compounds PPARA, PPARG, PPARD SIGMAR1 1433/4885KCNH2 4703/4885ADRB2 232/4885
US-20050075377-A1 PPAR compounds PPARA, PPARG, PPARD SIGMAR1 1433/4885KCNH2 4703/4885ADRB2 232/4885

“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.