SCHEMBL10114899

SCHEMBL10114899

CC(C)N(C(=O)c1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)c1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
GRIA2 P42262 2/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 2/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL14627641 1.00 GAA (0.53) GAAGRIA2ALDH1A1LMNASMN1; SMN2
SCHEMBL10114122 0.90 ALDH1A1 (0.62) GAAGRIA2ALDH1A1LMNASMN1; SMN2
SCHEMBL14627640 0.88 GAA (0.54) GAAGRIA2ALDH1A1LMNASMN1; SMN2
SCHEMBL10114128 0.88 GAA (0.54) GAAGRIA2ALDH1A1LMNASMN1; SMN2
SCHEMBL14424343 0.87 GAA (0.51) GAAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL10114548 0.87 GAA (0.51) GAAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL10114915 0.86 NAMPT (0.46) GAAGRIA2ALDH1A1LMNASMN1; SMN2
SCHEMBL14424380 0.86 NAMPT (0.46) GAAGRIA2ALDH1A1LMNASMN1; SMN2
SCHEMBL14424627 0.86 GAA (0.52) GAAGRIA2ALDH1A1LMNASMN1; SMN2
SCHEMBL10114126 0.86 GAA (0.52) GAAGRIA2ALDH1A1LMNASMN1; SMN2

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 10 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-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 GAA 3448/4885GRIA2 347/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3316/4885GRIA2 334/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3472/4885GRIA2 358/4885ALDH1A1 4517/4885

“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.