SCHEMBL10113985

SCHEMBL10113985

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
LMNA P02545 1/20 0.46
SYK P43405 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 1/20 0.42
GAA P10253 3/20 0.42
TSHR P16473 1/20 0.42
NAMPT P43490 1/20 0.41
GLA P06280 1/20 0.41
CCR5 P51681 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL10113984 0.90 POLB (0.47) POLBKMT2AMEN1LMNANPSR1
SCHEMBL10112984 0.89 POLB (0.61) POLBKMT2AMEN1LMNANPSR1
SCHEMBL10114674 0.87 POLB (0.52) POLBKMT2AMEN1LMNANPSR1
SCHEMBL13204274 0.87 POLB (0.52) POLBKMT2AMEN1LMNANPSR1
SCHEMBL13203742 0.85 NPY5R (0.48) POLBKMT2AMEN1LMNASYK
SCHEMBL10113129 0.85 NPY5R (0.48) POLBKMT2AMEN1LMNASYK
SCHEMBL13204272 0.84 KMT2A (0.58) POLBKMT2AMEN1LMNANPSR1
SCHEMBL10114669 0.84 KMT2A (0.58) POLBKMT2AMEN1LMNANPSR1
SCHEMBL13462614 0.83 FFAR1 (0.42) NPSR1EPHX2NR1H4
SCHEMBL10114697 0.81 MAPT (0.56) KMT2AMEN1LMNANPSR1GAA

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 11 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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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
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 (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 POLB 4727/4885KMT2A 2912/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885KMT2A 2768/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4721/4885KMT2A 2953/4885MEN1 2926/4885

“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.