Sugi Predict

Sugi Predict / Compounds / SCHEMBL10115893

SCHEMBL10115893

SCHEMBL10115893

Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.46
▸ RAB9A P51151 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CCR8 P51685 5/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ PANK3 Q9H999 1/20 0.36
▸ MAPT P10636 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
SCHEMBL10133518 0.91 MAPT (0.41) HRH3RAB9ATHRBHTTPANK3
SCHEMBL10115881 0.91 MAPT (0.41) HRH3RAB9ATHRBHTTPANK3
SCHEMBL10133832 0.89 GSK3B (0.34) HRH3HTTCCR8MAPT
SCHEMBL10116028 0.89 GSK3B (0.34) HRH3HTTCCR8MAPT
SCHEMBL10133823 0.88 HRH3 (0.39) HRH3RAB9ATHRBHTTNPC1
SCHEMBL10116031 0.88 HRH3 (0.39) HRH3RAB9ATHRBHTTNPC1
SCHEMBL10116053 0.88 HRH3 (0.44) HRH3RAB9ATHRBNPC1CCR8
SCHEMBL10133585 0.88 HRH3 (0.47) HRH3RAB9ATHRBHTTNPC1
SCHEMBL10115561 0.88 HRH3 (0.47) HRH3RAB9ATHRBHTTNPC1
SCHEMBL10115911 0.86 MAPT (0.48) HRH3RAB9ATHRBNPC1MAPK1

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 HRH3 417/4885RAB9A 3699/4885THRB 414/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 458/4885RAB9A 3651/4885THRB 417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 421/4885RAB9A 3820/4885THRB 409/4885

“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.