SCHEMBL10133079

SCHEMBL10133079

CCCCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
TP53 P04637 3/20 0.51
NPC1 O15118 2/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 4/20 0.51
THRB P10828 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.45
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL10113020 1.00 POLB (0.59) POLBTP53NPC1HPGDRAB9A
SCHEMBL10113036 0.85 POLB (0.61) POLBTP53NPC1HPGDRAB9A
SCHEMBL10113010 0.85 POLB (0.61) POLBTP53NPC1HPGDRAB9A
SCHEMBL12864650 0.85 POLB (0.61) POLBTP53NPC1HPGDRAB9A
SCHEMBL13438600 0.84 CNR2 (0.47) POLBTP53NPC1HPGDRAB9A
SCHEMBL13462787 0.84 CNR2 (0.47) POLBTP53NPC1HPGDRAB9A
SCHEMBL17090465 0.82 NPY5R (0.41) POLBTP53NPC1HPGDRAB9A
SCHEMBL13564848 0.82 NPY5R (0.41) POLBTP53NPC1HPGDRAB9A
SCHEMBL17090119 0.82 NPY5R (0.41) POLBTP53NPC1HPGDRAB9A
SCHEMBL10113206 0.81 POLB (0.68) POLBTP53NPC1HPGDRAB9A

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-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

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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885TP53 4417/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4721/4885TP53 4486/4885NPC1 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.