SCHEMBL10114939

SCHEMBL10114939

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)CC(F)C3)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 17/20 0.53
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 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
SCHEMBL14424196 1.00 GRIA2 (0.53) GRIA2SMN1; SMN2CYP1A2NPC1ALDH1A1
SCHEMBL14424165 0.85 NPC1 (0.52) GRIA2SMN1; SMN2CYP1A2NPC1ALDH1A1
SCHEMBL10114124 0.85 NPC1 (0.52) GRIA2SMN1; SMN2CYP1A2NPC1ALDH1A1
SCHEMBL14424189 0.83 MAPT (0.46) GRIA2SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL10114886 0.83 MAPT (0.46) GRIA2SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL10116083 0.83 GRIA2 (0.48) GRIA2CYP1A2LMNAKMT2ACYP2C19
SCHEMBL14424633 0.82 GRIA2 (0.48) GRIA2SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL10114900 0.82 GRIA2 (0.48) GRIA2SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL10114957 0.81 KMT2A (0.54) SMN1; SMN2NPC1MAPTRAB9ALMNA
SCHEMBL10113927 0.81 KMT2A (0.54) SMN1; SMN2NPC1MAPTRAB9ALMNA

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 GRIA2 347/4885SMN1; SMN2 2213/4885CYP1A2 1092/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 334/4885SMN1; SMN2 2197/4885CYP1A2 1230/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 358/4885SMN1; SMN2 2251/4885CYP1A2 1051/4885

“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.