SCHEMBL13439232

SCHEMBL13439232

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
NOD2 Q9HC29 1/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
KIF18A Q8NI77 1/20 0.43

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
SCHEMBL11935498 1.00 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13439243 0.88 MEN1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL17090005 0.86 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13565315 0.86 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13565438 0.85 RXFP1 (0.41) SMN1; SMN2L3MBTL1ALDH1A1HTTLMNA
SCHEMBL17090162 0.85 RXFP1 (0.41) SMN1; SMN2L3MBTL1ALDH1A1HTTLMNA
SCHEMBL17090387 0.85 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2AHTTLMNA
SCHEMBL13565243 0.85 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2AHTTLMNA
SCHEMBL17090036 0.83 CA1 (0.44) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL10114967 0.81 RHOA (0.54) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A

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 SMN1; SMN2 1734/4885L3MBTL1 3168/4885ALDH1A1 3842/4885

“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.