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SCHEMBL10114955

SCHEMBL10114955

Cc1c(C(F)(F)F)cnc(NC(=O)[C@H]2CC[C@H](NS(=O)(=O)C(C)C)CC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.45
▸ ULK1 O75385 1/20 0.42
▸ KIT P10721 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ GRIA2 P42262 9/20 0.39
▸ ABL1 P00519 2/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DEGS1 O15121 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 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
SCHEMBL10116168 0.84 EPHX2 (0.37) GRIA2GSK3B
SCHEMBL10134451 0.83 GRIA2 (0.39) NPY5RGRIA2ABL1AAK1GSK3B
SCHEMBL10114953 0.83 NPY5R (0.53) NPY5RGRIA2ABL1AAK1KDR
SCHEMBL14424386 0.83 NPY5R (0.53) NPY5RGRIA2ABL1AAK1KDR
SCHEMBL10114888 0.81 NPY5R (0.42) NPY5RULK1GRIA2MAPTRAB9A
SCHEMBL14424640 0.81 NPY5R (0.42) NPY5RULK1GRIA2MAPTRAB9A
SCHEMBL10133784 0.81 NPY5R (0.42) NPY5RULK1GRIA2MAPTRAB9A
SCHEMBL13564911 0.80 PRKCQ (0.38) FLT3GRIA2
SCHEMBL14424799 0.77 NPY5R (0.75) NPY5RABL1KDRMAPTDEGS1
SCHEMBL10114602 0.77 NPY5R (0.75) NPY5RABL1KDRMAPTDEGS1

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 9 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-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 NPY5R 1/4885ULK1 3702/4885KIT 1402/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885ULK1 3499/4885KIT 1982/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885ULK1 3554/4885KIT 1440/4885

“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.