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SCHEMBL10115964

SCHEMBL10115964

CC(C)c1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc2ccc(=O)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ GRIA2 P42262 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMO Q99835 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL12882642 0.89 LMNA (0.36) GSK3BDYRK1ALMNAALDH1A1MAPT
SCHEMBL10115963 0.89 GSK3B (0.36) GSK3BDYRK1AGRIA2LMNAALDH1A1
SCHEMBL10115941 0.84 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AKDM4EACHE
SCHEMBL10115627 0.77 LMNA (0.40) LMNAMAPTUSP2TSHRNPC1
SCHEMBL12882649 0.76 LMNA (0.37) LMNAALDH1A1USP2TSHRKDM4E
SCHEMBL10115936 0.75 MAOB (0.43) ALDH1A1NPC1RAB9AKDM4E
SCHEMBL10116050 0.74 CACNA1H (0.48) LMNAUSP2TSHRNPC1KMT2A
SCHEMBL10115852 0.74 NPC1 (0.57) LMNAALDH1A1MAPTMAPK1NPC1
SCHEMBL10114793 0.74 MEN1 (0.39) GRIA2ALDH1A1MAPTNPC1RAB9A
SCHEMBL14424768 0.74 MEN1 (0.39) GRIA2ALDH1A1MAPTNPC1RAB9A

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 GSK3B 2267/4885DYRK1A 543/4885GRIA2 347/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GSK3B 2333/4885DYRK1A 584/4885GRIA2 334/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GSK3B 2284/4885DYRK1A 549/4885GRIA2 358/4885

“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.