SCHEMBL4416567

SCHEMBL4416567

C[C@@]1(O)CCCN1C(=O)c1ccc(-c2nc(COC3CCN(C(=O)O)CC3)no2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.42
SPHK2 Q9NRA0 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
CCR6 P51684 1/20 0.34
PTGS2 P35354 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL4412979 1.00 SPHK1 (0.42) SPHK1SPHK2SMN1; SMN2NR1H4KCNH2
SCHEMBL4412893 0.85 SPHK1 (0.47) SPHK1SPHK2SMN1; SMN2NR1H4KCNH2
SCHEMBL4422335 0.81 PTGS2 (0.51) SPHK1SPHK2SMN1; SMN2KCNH2MCHR1
SCHEMBL4412654 0.77 GPR119 (0.40) SPHK1SPHK2NR1H4KCNH2MCHR1
SCHEMBL4424803 0.77 SPHK1 (0.46) SPHK1SPHK2SMN1; SMN2MCHR1S1PR1
SCHEMBL4415854 0.76 SPHK2 (0.55) SPHK1SPHK2MCHR1S1PR1
SCHEMBL4415893 0.76 SPHK1 (0.41) SPHK1SPHK2MCHR1S1PR1
SCHEMBL4415741 0.76 HDAC4 (0.43) SPHK1SPHK2KCNH2S1PR1
SCHEMBL4414279 0.75 HDAC4 (0.46) SPHK1SPHK2MCHR1S1PR1
SCHEMBL13598291 0.75 GPR119 (0.55) SPHK1SPHK2SMN1; SMN2GPR119

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 SPHK1 686/4885SPHK2 754/4885SMN1; SMN2 2663/4885

“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.