SCHEMBL10114909

SCHEMBL10114909

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMYD3 Q9H7B4 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADRB2 P07550 1/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 2/20 0.48
ACKR3 P25106 1/20 0.48
HTR2B P41595 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL14424124 1.00 ALDH1A1 (0.54) ALDH1A1SMYD3NPC1RAB9AKCNK3
SCHEMBL10114126 0.89 GAA (0.52) ALDH1A1KCNK3KCNK9GAALMNA
SCHEMBL14424627 0.89 GAA (0.52) ALDH1A1KCNK3KCNK9GAALMNA
SCHEMBL10114924 0.88 LMNA (0.54) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL14424127 0.88 LMNA (0.54) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL10114988 0.87 LMNA (0.59) ALDH1A1KCNK3KCNK9GAALMNA
SCHEMBL13204425 0.87 LMNA (0.59) ALDH1A1KCNK3KCNK9GAALMNA
SCHEMBL10114122 0.86 ALDH1A1 (0.62) ALDH1A1PKMALOX15GAAHSD17B10
SCHEMBL10114562 0.86 ALDH1A1 (0.54) ALDH1A1SMYD3NPC1RAB9AKCNK3
SCHEMBL14424764 0.86 ALDH1A1 (0.54) ALDH1A1SMYD3NPC1RAB9AKCNK3

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 8 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-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 ALDH1A1 4558/4885SMYD3 3421/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885SMYD3 3274/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885SMYD3 3557/4885NPC1 1462/4885

“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.