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SCHEMBL10116094

SCHEMBL10116094

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ NAMPT P43490 3/20 0.50
▸ LMNA P02545 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL10116061 0.88 KMT2A (0.52) KMT2ACTDSP1TDP1USP2TSHR
SCHEMBL10116101 0.88 CTDSP1 (0.56) KMT2ACTDSP1TDP1LMNAMEN1
SCHEMBL10115754 0.85 KMT2A (0.60) KMT2ACTDSP1TDP1USP2TSHR
SCHEMBL10116105 0.85 KMT2A (0.56) KMT2ALMNAMEN1POLBALDH1A1
SCHEMBL10116128 0.84 KMT2A (0.50) KMT2ACTDSP1TDP1USP2TSHR
SCHEMBL10116131 0.84 KMT2A (0.55) KMT2ATDP1USP2NAMPTLMNA
SCHEMBL10114605 0.84 NAMPT (0.50) TSHRNAMPTMAPT
SCHEMBL14424127 0.83 LMNA (0.54) KMT2ALMNAMEN1POLBEPHX2
SCHEMBL10114924 0.83 LMNA (0.54) KMT2ALMNAMEN1POLBEPHX2
SCHEMBL10116110 0.83 KMT2A (0.47) KMT2ACTDSP1TDP1USP2TSHR

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
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
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 KMT2A 2912/4885CTDSP1 2444/4885TDP1 4408/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885CTDSP1 2479/4885TDP1 4084/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885CTDSP1 2438/4885TDP1 4424/4885

“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.