SCHEMBL10115941

SCHEMBL10115941

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
ACHE P22303 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.44
CA12 O43570 5/20 0.44
CA9 Q16790 5/20 0.44
SNCA P37840 1/20 0.43
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL10115936 0.87 MAOB (0.43) ALDH1A1KDM4ECA12CA9NPC1
SCHEMBL13840464 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EACHESMN1; SMN2GAA
SCHEMBL10114421 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EACHESMN1; SMN2GAA
SCHEMBL10115962 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EACHESMN1; SMN2GAA
SCHEMBL12882889 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2GAACA12
SCHEMBL10115964 0.84 GSK3B (0.38) ALDH1A1KDM4EACHENPC1RAB9A
SCHEMBL10115963 0.84 GSK3B (0.36) ALDH1A1KDM4EACHENPC1HPGD
SCHEMBL10115957 0.80 CCR8 (0.40) ALDH1A1GAAMEN1KMT2A
SCHEMBL2600316 0.79 NPY5R (0.43) ALDH1A1KDM4EHPGDTP53
SCHEMBL10115993 0.78 RAB9A (0.44) ALDH1A1KDM4ESMN1; SMN2GAANPC1

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 11 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
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 ALDH1A1 4558/4885KDM4E 1668/4885ACHE 2073/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KDM4E 1627/4885ACHE 2082/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KDM4E 1653/4885ACHE 2198/4885

“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.