SCHEMBL10133986

SCHEMBL10133986

CCCCc1ccc(NC(=O)OC2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CHRM3 P20309 8/20 0.44
HPGD P15428 1/20 0.44
BCHE P06276 2/20 0.43
MEN1 O00255 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL10112958 1.00 KMT2A (0.49) KMT2ATSHRL3MBTL1POLBALDH1A1
SCHEMBL10112954 0.79 HPGD (0.52) POLBALDH1A1HPGDTRPV1
SCHEMBL10133983 0.79 HPGD (0.52) POLBALDH1A1HPGDTRPV1
SCHEMBL10112952 0.72 HPGD (0.46) POLBALDH1A1HPGD
SCHEMBL10113912 0.72 NPC1 (0.46) POLBALDH1A1HPGDBCHE
SCHEMBL10113025 0.72 HPGD (0.46) POLBALDH1A1HPGD
SCHEMBL10113032 0.72 NPC1 (0.46) POLBALDH1A1HPGD
SCHEMBL14627795 0.72 NPC1 (0.46) POLBALDH1A1HPGDBCHE
SCHEMBL10113913 0.72 NPC1 (0.46) POLBALDH1A1HPGDBCHE
SCHEMBL13052587 0.72 NPC1 (0.46) POLBALDH1A1HPGD

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-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-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 KMT2A 2912/4885TSHR 163/4885L3MBTL1 3267/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885TSHR 189/4885L3MBTL1 2541/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885TSHR 173/4885L3MBTL1 3389/4885

“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.