SCHEMBL4422335

SCHEMBL4422335

O=C(O)N1CCC(OCc2noc(-c3ccc(C(=O)N4CCOCC4)cc3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
SPHK1 Q9NYA1 4/20 0.44
HDAC4 P56524 1/20 0.44
SPHK2 Q9NRA0 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
MGLL Q99685 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL4412893 0.92 SPHK1 (0.47) PTGS2SPHK1HDAC4SPHK2SMN1; SMN2
SCHEMBL13598277 0.87 GPR119 (0.54) PTGS2SPHK1HDAC4SPHK2
SCHEMBL4416567 0.81 SPHK1 (0.42) PTGS2SPHK1SPHK2SMN1; SMN2KCNH2
SCHEMBL4412979 0.81 SPHK1 (0.42) PTGS2SPHK1SPHK2SMN1; SMN2KCNH2
SCHEMBL4415854 0.81 SPHK2 (0.55) SPHK1HDAC4SPHK2MCHR1
SCHEMBL14640893 0.80 SPHK1 (0.49) PTGS2SPHK1HDAC4SPHK2SMN1; SMN2
SCHEMBL13598291 0.80 GPR119 (0.55) SPHK1HDAC4SPHK2SMN1; SMN2
SCHEMBL4412654 0.80 GPR119 (0.40) PTGS2SPHK1HDAC4SPHK2KCNH2
SCHEMBL4424803 0.80 SPHK1 (0.46) SPHK1HDAC4SPHK2SMN1; SMN2POLB
SCHEMBL4424695 0.80 SPHK2 (0.49) SPHK1SPHK2MCHR1

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 PTGS2 1870/4885SPHK1 686/4885HDAC4 2550/4885

“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.