SCHEMBL13439320

SCHEMBL13439320

CC(C)NS(=O)(=O)c1cccc(NCCCCCNS(=O)(=O)C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH3A1 P30838 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PNMT P11086 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 1/20 0.35
FBP1 P09467 4/20 0.34

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
SCHEMBL17090453 0.86 GRIA1 (0.46) HTR2BALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL11935686 0.85 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EPKM
SCHEMBL10115259 0.84 ALDH1A1 (0.52) HTR2BALDH1A1LMNASMN1; SMN2CA1
SCHEMBL11935824 0.83 HTR2B (0.45) HTR2BALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL13565519 0.81 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL13564959 0.79 CNR1 (0.42) ALDH1A1LMNASMN1; SMN2KMT2ACNR2
SCHEMBL11935546 0.79 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2PKMKMT2ANPSR1
SCHEMBL11935683 0.79 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL13564779 0.78 HTR6 (0.38) ALDH1A1LMNAKDM4ECA12CA1
SCHEMBL13105242 0.78 CNR2 (0.36) ALDH1A1LMNASMN1; SMN2KDM4EPKM

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 HTR2B 96/4885ALDH1A1 3842/4885LMNA 3149/4885

“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.