SCHEMBL10133210

SCHEMBL10133210

CCC(C)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.71
LMNA P02545 5/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPY5R Q15761 1/20 0.50
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
NAMPT P43490 1/20 0.43
RAB9A P51151 2/20 0.42
EPHX2 P34913 1/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
ENPP2 Q13822 1/20 0.41
NPC1 O15118 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
SCHEMBL10114301 1.00 NPSR1 (0.71) NPSR1LMNAALDH1A1TP53MAPT
SCHEMBL10114299 0.89 KMT2A (0.58) NPSR1LMNAALDH1A1TP53MAPT
SCHEMBL10133209 0.89 KMT2A (0.58) NPSR1LMNAALDH1A1TP53MAPT
SCHEMBL10114764 0.86 NPSR1 (0.74) NPSR1LMNAALDH1A1TP53MAPT
SCHEMBL13204276 0.86 NPSR1 (0.74) NPSR1LMNAALDH1A1TP53MAPT
SCHEMBL11990248 0.84 NPSR1 (1.00) NPSR1LMNAALDH1A1TP53MAPT
SCHEMBL10133413 0.84 KMT2A (0.58) NPSR1LMNAALDH1A1TP53MAPT
SCHEMBL10114295 0.84 KMT2A (0.58) NPSR1LMNAALDH1A1TP53MAPT
SCHEMBL14424617 0.83 HTT (0.53) NPSR1ALDH1A1SMN1; SMN2NPY5RPOLB
SCHEMBL10114628 0.83 HTT (0.53) NPSR1ALDH1A1SMN1; SMN2NPY5RPOLB

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 7 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-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 NPSR1 7/4885LMNA 1925/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPSR1 8/4885LMNA 2068/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPSR1 7/4885LMNA 1857/4885ALDH1A1 4517/4885

“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.