SCHEMBL13438995

SCHEMBL13438995

CC(C)NC(=O)c1ccc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.46
ALDH1A1 P00352 1/20 0.41
NPY5R Q15761 1/20 0.38
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
MLYCD O95822 1/20 0.38
CRHR1 P34998 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ACLY P53396 1/20 0.38
CA2 P00918 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL11935305 1.00 MAPK14 (0.46) MAPK14ALDH1A1NPY5RCTSSCTSL
SCHEMBL17090363 0.91 HTT (0.44) MAPK14ALDH1A1NPY5RCRHR1NAMPT
SCHEMBL13438760 0.88 CRHR1 (0.46) MAPK14CRHR1PDE4APDE4BPDE4C
SCHEMBL11934886 0.88 CRHR1 (0.46) MAPK14CRHR1PDE4APDE4BPDE4C
SCHEMBL17090366 0.87 MAPK14 (0.45) MAPK14ALDH1A1NPY5RCTSSCTSL
SCHEMBL17090002 0.87 KDM1A (0.40) MAPK14NPY5RCRHR1CA2CNR1
SCHEMBL11935324 0.86 LMNA (0.53) MAPK14ALDH1A1CRHR1NAMPTKMT2A
SCHEMBL17090231 0.86 LMNA (0.53) MAPK14ALDH1A1CRHR1NAMPTKMT2A
SCHEMBL17090528 0.86 NPSR1 (0.36) MAPK14ALDH1A1NPY5RCRHR1CNR1
SCHEMBL13565324 0.86 NPSR1 (0.36) MAPK14ALDH1A1NPY5RCRHR1CNR1

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (1 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R MAPK14 1624/4885ALDH1A1 3842/4885NPY5R 1/4885

“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.