Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114745

SCHEMBL10114745

SCHEMBL10114745

Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ CCR8 P51685 1/20 0.39
▸ GAK O14976 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL10114405 1.00 HRH3 (0.46) HRH3KCNH2ALDH1A1CCR8GAK
SCHEMBL14424079 0.91 TP53 (0.42) HRH3KCNH2GAKMAPTGSK3B
SCHEMBL10114451 0.91 TP53 (0.42) HRH3KCNH2GAKMAPTGSK3B
SCHEMBL10134414 0.91 TP53 (0.42) HRH3KCNH2GAKMAPTGSK3B
SCHEMBL14424188 0.88 ALDH1A1 (0.43) HRH3KCNH2ALDH1A1CCR8MAPT
SCHEMBL10114868 0.88 ALDH1A1 (0.43) HRH3KCNH2ALDH1A1CCR8MAPT
SCHEMBL10114336 0.87 HRH3 (0.47) HRH3KCNH2ALDH1A1GAKMAPT
SCHEMBL10133381 0.87 HRH3 (0.47) HRH3KCNH2ALDH1A1GAKMAPT
SCHEMBL13204314 0.86 MAPT (0.49) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL10114302 0.86 MAPT (0.49) ALDH1A1MAPTKMT2AMEN1NPSR1

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 10 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-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 HRH3 417/4885KCNH2 861/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 458/4885KCNH2 857/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 421/4885KCNH2 836/4885ALDH1A1 4517/4885

“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.