SCHEMBL10114933

SCHEMBL10114933

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(OC3CCCCC3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.47
GRIA2 P42262 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ABL1 P00519 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL14424388 1.00 LMNA (0.48) LMNAPOLBGRIA2ALDH1A1MTNR1A
SCHEMBL14424357 0.99 POLB (0.47) LMNAPOLBGRIA2ALDH1A1MTNR1A
SCHEMBL10114582 0.99 POLB (0.47) LMNAPOLBGRIA2ALDH1A1MTNR1A
SCHEMBL14424383 0.88 ENPP3 (0.53) LMNAPOLBSMN1; SMN2NPSR1ABL1
SCHEMBL10114920 0.88 ENPP3 (0.53) LMNAPOLBSMN1; SMN2NPSR1ABL1
SCHEMBL10114988 0.87 LMNA (0.59) LMNAGRIA2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL13204425 0.87 LMNA (0.59) LMNAGRIA2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10114618 0.86 ENPP3 (0.51) LMNAPOLBSMN1; SMN2NPSR1
SCHEMBL14424355 0.86 ENPP3 (0.51) LMNAPOLBSMN1; SMN2NPSR1
SCHEMBL14424344 0.86 POLB (0.47) LMNAPOLBALDH1A1MTNR1AMTNR1B

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 LMNA 1925/4885POLB 4727/4885GRIA2 347/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885POLB 4751/4885GRIA2 334/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885POLB 4721/4885GRIA2 358/4885

“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.