SCHEMBL10114320

SCHEMBL10114320

Cc1cc(NC(=O)[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)ccc1N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 5/20 0.40
GSK3B P49841 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12882405 1.00 NPY5R (0.45) NPY5RKDM4ELMNAMEN1KMT2A
SCHEMBL10114330 0.90 MAPT (0.49) NPY5RKDM4ELMNAMEN1KMT2A
SCHEMBL12882404 0.90 MAPT (0.49) NPY5RKDM4ELMNAMEN1KMT2A
SCHEMBL10116202 0.90 HPGD (0.49) NPY5RKDM4ELMNAMEN1KMT2A
SCHEMBL10114324 0.90 HPGD (0.49) NPY5RKDM4ELMNAMEN1KMT2A
SCHEMBL10133406 0.90 HPGD (0.49) NPY5RKDM4ELMNAMEN1KMT2A
SCHEMBL14627693 0.90 HPGD (0.49) NPY5RKDM4ELMNAMEN1KMT2A
SCHEMBL10114386 0.88 KDM4E (0.40) KDM4ELMNAMEN1KMT2ARAB9A
SCHEMBL10114735 0.88 KDM4E (0.40) KDM4ELMNAMEN1KMT2ARAB9A
SCHEMBL10115555 0.86 HRH3 (0.46) KDM4ELMNARAB9AMAPTHTT

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 10 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-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 (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 NPY5R 1/4885KDM4E 1668/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885KDM4E 1627/4885LMNA 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.