SCHEMBL10114764

SCHEMBL10114764

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

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.74
LMNA P02545 4/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 3/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
NAMPT P43490 1/20 0.45
RAB9A P51151 2/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
ENPP2 Q13822 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL13204276 1.00 NPSR1 (0.74) NPSR1LMNAALDH1A1TSHRPOLB
SCHEMBL10114696 0.88 KMT2A (0.60) NPSR1LMNAALDH1A1POLBTP53
SCHEMBL13204275 0.88 KMT2A (0.60) NPSR1LMNAALDH1A1POLBTP53
SCHEMBL10114301 0.86 NPSR1 (0.71) NPSR1LMNAALDH1A1TSHRPOLB
SCHEMBL10133210 0.86 NPSR1 (0.71) NPSR1LMNAALDH1A1TSHRPOLB
SCHEMBL11990248 0.86 NPSR1 (1.00) NPSR1LMNAALDH1A1TSHRPOLB
SCHEMBL13204272 0.86 KMT2A (0.58) NPSR1LMNAALDH1A1TSHRPOLB
SCHEMBL10114669 0.86 KMT2A (0.58) NPSR1LMNAALDH1A1TSHRPOLB
SCHEMBL10113958 0.84 NAMPT (0.66) NPSR1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL13204426 0.84 PTPN1 (0.56) NPSR1LMNAHPGDSMN1; SMN2KMT2A

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 8 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-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-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

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 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.