SCHEMBL10113018

SCHEMBL10113018

CCCCc1ccc(NC(=O)[C@H]2CC[C@H](CN[S+]([O-])C(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
CNR2 P34972 1/20 0.43
SPHK1 Q9NYA1 2/20 0.43
NAMPT P43490 1/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GHSR Q92847 1/20 0.41
THRB P10828 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL10133078 1.00 POLB (0.53) POLBNPC1HPGDRAB9ATP53
SCHEMBL10113007 0.85 POLB (0.54) POLBNPC1HPGDRAB9ATP53
SCHEMBL10113024 0.85 POLB (0.54) POLBNPC1HPGDRAB9ATP53
SCHEMBL13462788 0.83 SPHK1 (0.42) POLBNPC1HPGDRAB9ATP53
SCHEMBL13438602 0.83 SPHK1 (0.42) POLBNPC1HPGDRAB9ATP53
SCHEMBL13564837 0.81 MEN1 (0.38) NPC1HPGDRAB9AKMT2ALMNA
SCHEMBL10113048 0.81 PLK1 (0.46) POLBHPGDKMT2AMEN1CA2
SCHEMBL10113020 0.80 POLB (0.59) POLBNPC1HPGDRAB9ATP53
SCHEMBL10133079 0.80 POLB (0.59) POLBNPC1HPGDRAB9ATP53
SCHEMBL22679393 0.77 POLB (0.69) POLBNPC1HPGDRAB9ATP53

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-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 POLB 4727/4885NPC1 1435/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885NPC1 1353/4885HPGD 3475/4885

“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.