SCHEMBL10114712

SCHEMBL10114712

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 4/20 0.53
FAAH O00519 1/20 0.49
NAMPT P43490 1/20 0.49
MEN1 O00255 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EPHX2 P34913 2/20 0.47
CYP3A4 P08684 1/20 0.46
GRIA4 P48058 1/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
MGLL Q99685 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 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
SCHEMBL13204281 1.00 L3MBTL1 (0.56) L3MBTL1KMT2AFAAHNAMPTMEN1
SCHEMBL13204275 0.90 KMT2A (0.60) KMT2ANAMPTMEN1NPSR1EPHX2
SCHEMBL10114696 0.90 KMT2A (0.60) KMT2ANAMPTMEN1NPSR1EPHX2
SCHEMBL10114691 0.88 ALDH1A1 (0.55) KMT2AFAAHNAMPTMEN1NPSR1
SCHEMBL10114938 0.88 PTPN1 (0.56) KMT2ANAMPTMEN1NPSR1SMN1; SMN2
SCHEMBL10133540 0.88 NAMPT (0.50) KMT2ANAMPTMEN1NPSR1EPHX2
SCHEMBL10113958 0.88 NAMPT (0.66) KMT2ANAMPTMEN1NPSR1CYP3A4
SCHEMBL13204426 0.88 PTPN1 (0.56) KMT2ANAMPTMEN1NPSR1SMN1; SMN2
SCHEMBL13204270 0.88 ALDH1A1 (0.55) KMT2AFAAHNAMPTMEN1NPSR1
SCHEMBL10113961 0.87 NAMPT (0.49) KMT2ANAMPTMEN1NPSR1CYP3A4

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-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

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 L3MBTL1 2541/4885KMT2A 2768/4885FAAH 994/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 3389/4885KMT2A 2953/4885FAAH 974/4885

“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.