SCHEMBL10090604

SCHEMBL10090604

O=C(OC[C@@H]1CCCO1)N1CCC(Cc2noc(-c3cc4cnccc4o3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.36
NAMPT P43490 5/20 0.35
ROCK1 Q13464 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 3/20 0.33
GRIN2B Q13224 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
KCNH2 Q12809 1/20 0.33
ROCK2 O75116 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL391728 1.00 MKNK1 (0.36) MKNK1NAMPTROCK1PTGDR2ALDH1A1
SCHEMBL391727 1.00 MKNK1 (0.36) MKNK1NAMPTROCK1PTGDR2ALDH1A1
SCHEMBL392229 0.90 GPR119 (0.37) MKNK1NAMPTALDH1A1CYP2D6CYP2C9
SCHEMBL387107 0.87 KCNH2 (0.43) CYP2D6CYP2C9GRIN2BCYP3A4KCNH2
SCHEMBL392226 0.85 GPR119 (0.39) MKNK1NAMPTALDH1A1CYP2D6CYP2C9
SCHEMBL388621 0.84 GPR119 (0.40) CYP2D6CYP2C9GRIN2BCYP3A4KCNH2
SCHEMBL389694 0.84 TPSAB1 (0.38) MKNK1GRIN2BGPR119
SCHEMBL390684 0.84 PTGDR2 (0.34) PTGDR2ALDH1A1LMNASMN1; SMN2
SCHEMBL387161 0.84 PTGDR2 (0.34) PTGDR2ALDH1A1LMNASMN1; SMN2
SCHEMBL392337 0.83 KCNH2 (0.38) MKNK1NAMPTCYP2D6CYP2C9GRIN2B

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-8193359-B2 G-protein coupled receptor agonists PROSIDION LIMITED (GB) 2012-06-05 US disclosed
US-8193359-B2 G-protein coupled receptor agonists PROSIDION LIMITED (GB) 2012-06-05 US disclosed
US-20090099227-A1 G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-04-16 US disclosed
US-20090099227-A1 G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-04-16 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-20090099227-A1 G-Protein Coupled Receptor Agonists GPR119, GPR65, GPR84 MKNK1 2512/4885NAMPT 1742/4885ROCK1 2845/4885

“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.