SCHEMBL3530179

SCHEMBL3530179

COc1cc(C(CO)c2ncc[nH]2)c(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.40
F2RL1 P55085 8/20 0.35
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
ADRA2A P08913 4/20 0.34
ADRA2C P18825 4/20 0.34
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
KMO O15229 1/20 0.34
FAAH O00519 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
FPR2 P25090 1/20 0.31
ADRA2B P18089 1/20 0.31

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
SCHEMBL698029 0.82 F2RL1 (0.45) SMPD3F2RL1
SCHEMBL697302 0.81 ADRA2A (0.43) SMPD3F2RL1P2RX3P2RX2ADRA2A
SCHEMBL3530177 0.74 SMPD3 (0.40) SMPD3F2RL1ADRA2AADRA2CADRA1D
SCHEMBL3529538 0.68 F2RL1 (0.44) F2RL1ADRA2AADRA2CADRA2B
SCHEMBL3529779 0.67 F2RL1 (0.45) F2RL1ADRA2AADRA2CADRA2B
SCHEMBL697771 0.66 SMPD3 (0.42) SMPD3ADRA2AADRA2CADRA1DADRA1A
SCHEMBL6955109 0.66 F2RL1 (0.51) F2RL1
SCHEMBL6194278 0.66 NPC1 (0.40) F2RL1ADRA2CGAAHTTFPR2
SCHEMBL7864599 0.66 SMPD3 (0.37) SMPD3F2RL1ADRA2AADRA2CKDM4E
SCHEMBL6956313 0.65 F2RL1 (0.50) F2RL1ADRA2AADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMPD3 2736/4885F2RL1 3870/4885P2RX3 746/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMPD3 2736/4885F2RL1 3870/4885P2RX3 746/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMPD3 2736/4885F2RL1 3870/4885P2RX3 746/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMPD3 2736/4885F2RL1 3870/4885P2RX3 746/4885

“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.