SCHEMBL10133583

SCHEMBL10133583

Cc1cc(N2CC(C)OC(C)C2C)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
RAB9A P51151 2/20 0.37
THRB P10828 1/20 0.37
CCR8 P51685 8/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.34
PANK3 Q9H999 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL10115684 1.00 HRH3 (0.41) HRH3RAB9ATHRBCCR8HTT
SCHEMBL10115561 0.89 HRH3 (0.47) HRH3RAB9ATHRBCCR8HTT
SCHEMBL10133585 0.89 HRH3 (0.47) HRH3RAB9ATHRBCCR8HTT
SCHEMBL10116031 0.88 HRH3 (0.39) HRH3RAB9ATHRBCCR8HTT
SCHEMBL10133823 0.88 HRH3 (0.39) HRH3RAB9ATHRBCCR8HTT
SCHEMBL10134503 0.87 CCR8 (0.34) HRH3RAB9ATHRBCCR8HTT
SCHEMBL10115688 0.87 CCR8 (0.34) HRH3RAB9ATHRBCCR8HTT
SCHEMBL10115668 0.87 LMNA (0.42) HRH3CCR8LMNANPSR1
SCHEMBL10115747 0.85 CCR8 (0.37) CCR8HTTLMNANPSR1
SCHEMBL10133513 0.85 CCR8 (0.37) CCR8HTTLMNANPSR1

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.