SCHEMBL4416009

SCHEMBL4416009

COCCSc1ccc(-c2nc(COC3CCN(C(=O)O)CC3)no2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
S1PR1 P21453 1/20 0.36
SMPD1 P17405 3/20 0.36
SPHK1 Q9NYA1 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
SPHK2 Q9NRA0 3/20 0.34
HDAC8 Q9BY41 1/20 0.34
CCR6 P51684 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARA Q07869 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL13598223 0.89 GPR119 (0.51) GPR119
SCHEMBL4424803 0.84 SPHK1 (0.46) S1PR1SMPD1SPHK1KMT2AMCHR1
SCHEMBL4414082 0.84 KCNH2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4414279 0.82 HDAC4 (0.46) S1PR1SMPD1SPHK1KMT2AMCHR1
SCHEMBL4416109 0.80 GPR119 (0.51) GPR119
SCHEMBL4412893 0.79 SPHK1 (0.47) CHRM2SPHK1MEN1KMT2AKCNH2
SCHEMBL4420416 0.78 GPR119 (0.53) GPR119
SCHEMBL4415854 0.78 SPHK2 (0.55) S1PR1SPHK1MCHR1SPHK2
SCHEMBL4415741 0.78 HDAC4 (0.43) S1PR1SMPD1SPHK1KCNH2SPHK2
SCHEMBL4415893 0.78 SPHK1 (0.41) S1PR1SMPD1SPHK1MCHR1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 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-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 CHRM2 564/4885CHRM4 502/4885CHRM5 664/4885

“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.