SCHEMBL10115019

SCHEMBL10115019

C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL10134481 1.00 KDM4E (0.44) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10115016 1.00 KDM4E (0.44) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10134478 1.00 KDM4E (0.44) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10113454 0.89 MAPT (0.48) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL10113622 0.89 MAPT (0.48) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL10115047 0.89 MAPT (0.48) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL12882430 0.86 KDM4E (0.48) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10115298 0.85 KDM4E (0.44) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL13972710 0.85 MAPT (0.49) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL10115235 0.85 KDM4E (0.44) KDM4EALDH1A1LMNASMN1; SMN2MAPT

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-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-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 (2 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 KDM4E 1668/4885ALDH1A1 4558/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885ALDH1A1 4599/4885LMNA 2068/4885

“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.