SCHEMBL10115418

SCHEMBL10115418

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)CC(F)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HTR1A P08908 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
GRIA2 P42262 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCD Q05655 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39

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
SCHEMBL10115176 0.85 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11935809 0.84 GRIA1 (0.46) HTR1AGRIA2
SCHEMBL10113895 0.84 MAPK1 (0.52) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL10115400 0.81 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10115477 0.80 HDAC6 (0.48) ALDH1A1LMNAHTR1AHDAC6MEN1
SCHEMBL10115314 0.79 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10113818 0.79 BAZ2B (0.44) ALDH1A1LMNAHTR1AHDAC6RAB9A
SCHEMBL13972724 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHTR1AHDAC6MEN1
SCHEMBL10113688 0.78 HDAC3 (0.56) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL14424069 0.78 HDAC6 (0.46) ALDH1A1LMNAHTR1AHDAC6

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 PSEN1 2394/4885PSEN2 2415/4885APH1B 4139/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PSEN1 2747/4885PSEN2 2826/4885APH1B 3871/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PSEN1 2497/4885PSEN2 2510/4885APH1B 4087/4885

“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.