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Sugi Predict / Compounds / SCHEMBL10115988

SCHEMBL10115988

SCHEMBL10115988

CC1CC(NS(=O)(=O)C(C)C)CCN1C(=O)Nc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CCR1 P32246 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ CA1 P00915 1/20 0.37
▸ STS P08842 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ S1PR2 O95136 2/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ F10 P00742 1/20 0.34

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
SCHEMBL12882934 0.89 CCR1 (0.40) CA12CA2CA9LMNASMN1; SMN2
SCHEMBL10115952 0.87 CA12 (0.48) CA12CA2CA9LMNASMN1; SMN2
SCHEMBL14424078 0.82 L3MBTL1 (0.46) LMNASMN1; SMN2MAPTTRPV1MEN1
SCHEMBL10114446 0.82 L3MBTL1 (0.46) LMNASMN1; SMN2MAPTTRPV1MEN1
SCHEMBL10115971 0.80 CA12 (0.42) CA12CA2CA9LMNASMN1; SMN2
SCHEMBL13565097 0.77 OPRM1 (0.39) CCR1JAK1
SCHEMBL10115629 0.76 CA12 (0.48) CA12CA2CA9LMNASMN1; SMN2
SCHEMBL12882943 0.75 S1PR2 (0.42) CCR1L3MBTL1S1PR2JAK1
SCHEMBL13204917 0.75 ALDH1A1 (0.47) LMNASMN1; SMN2KDM4ECCR1MAPT
SCHEMBL10114806 0.72 ALDH1A1 (0.46) LMNACCR1MAPTMEN1KMT2A

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 CA12 1882/4885CA2 1224/4885CA9 1488/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CA12 1954/4885CA2 1119/4885CA9 1495/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CA12 2123/4885CA2 1320/4885CA9 1681/4885

“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.