SCHEMBL10114629

SCHEMBL10114629

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccccn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.65
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
PKM P14618 3/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
ACVRL1 P37023 1/20 0.44

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
SCHEMBL14424745 0.86 NPY5R (0.60) NPY5RRAB9ANPC1LMNATSHR
SCHEMBL10114459 0.86 NPY5R (0.60) NPY5RRAB9ANPC1LMNATSHR
SCHEMBL10114293 0.82 GLA (0.62) NPY5RRAB9ANPC1LMNAALDH1A1
SCHEMBL10133376 0.82 GLA (0.62) NPY5RRAB9ANPC1LMNAALDH1A1
SCHEMBL13204248 0.82 NPY5R (0.74) NPY5RRAB9ALMNATSHRALDH1A1
SCHEMBL12882409 0.82 NPY5R (0.74) NPY5RRAB9ALMNATSHRALDH1A1
SCHEMBL3671286 0.81 HPGD (0.65) RAB9ANPC1LMNATSHRPKM
SCHEMBL30355896 0.81 HPGD (0.65) RAB9ANPC1LMNATSHRPKM
SCHEMBL10114418 0.80 NPY5R (0.61) NPY5R
SCHEMBL10134429 0.80 NPY5R (0.61) NPY5R

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 6 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-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-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 NPY5R 1/4885RAB9A 3699/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885RAB9A 3651/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885RAB9A 3820/4885NPC1 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.