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Sugi Predict / Compounds / SCHEMBL122155

SCHEMBL122155

SCHEMBL122155

CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ S1PR5 Q9H228 3/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ NPFFR1 Q9GZQ6 1/20 0.44
▸ NPFFR2 Q9Y5X5 1/20 0.44
▸ DRD2 P14416 4/20 0.43
▸ DRD4 P21917 4/20 0.43
▸ DRD3 P35462 4/20 0.43
▸ MAOB P27338 2/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ KCNA3 P22001 1/20 0.42
▸ BCHE P06276 2/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL146562 1.00 KMT2A (0.54) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL10054587 1.00 KMT2A (0.54) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL16090749 0.90 KMT2A (0.54) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL19121559 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL7834998 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL1781856 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL3187533 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL3187519 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL7835003 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL19121534 0.88 KMT2A (0.54) KMT2AL3MBTL1S1PR5S1PR1NPFFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 — — US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 — — US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 — — 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 (2 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 KMT2A 3204/4885L3MBTL1 4277/4885S1PR5 715/4885
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 KMT2A 2799/4885L3MBTL1 3426/4885S1PR5 591/4885

“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.