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SCHEMBL10114915

SCHEMBL10114915

CC(C)N(C(=O)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GRIA2 P42262 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL14424380 1.00 NAMPT (0.46) NAMPTNPSR1RAB9AKMT2AMEN1
SCHEMBL10114012 0.88 L3MBTL1 (0.56) NAMPTNPSR1RAB9AKMT2AMEN1
SCHEMBL10114899 0.86 GAA (0.53) NPSR1RAB9AMAPTLMNAGAA
SCHEMBL14627641 0.86 GAA (0.53) NPSR1RAB9AMAPTLMNAGAA
SCHEMBL10114552 0.86 NPY5R (0.51) NAMPTNPSR1RAB9AKMT2AMEN1
SCHEMBL14424348 0.86 NPY5R (0.51) NAMPTNPSR1RAB9AKMT2AMEN1
SCHEMBL14424179 0.86 GAA (0.54) NAMPTNPSR1RAB9AKMT2AMEN1
SCHEMBL10114743 0.86 GAA (0.54) NAMPTNPSR1RAB9AKMT2AMEN1
SCHEMBL13204426 0.85 PTPN1 (0.56) NAMPTNPSR1RAB9AKMT2AMEN1
SCHEMBL10114938 0.85 PTPN1 (0.56) NAMPTNPSR1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R NAMPT 2678/4885NPSR1 7/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885NPSR1 8/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885NPSR1 7/4885RAB9A 3820/4885

“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.