SCHEMBL13439243

SCHEMBL13439243

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 7/20 0.45
USP2 O75604 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 4/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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 0.88 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL13439232 0.88 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL17090001 0.85 LMNA (0.45) MEN1KMT2AALDH1A1USP2TDP1
SCHEMBL13565152 0.85 LMNA (0.45) MEN1KMT2AALDH1A1USP2TDP1
SCHEMBL11935083 0.84 ALDH1A1 (0.42) MEN1KMT2AALDH1A1USP2TDP1
SCHEMBL13565866 0.84 DDIT3 (0.43) MEN1KMT2AALDH1A1USP2SMN1; SMN2
SCHEMBL13565240 0.83 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL17090423 0.83 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13565425 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1USP2TDP1
SCHEMBL13564972 0.82 ALDH1A1 (0.40) MEN1KMT2AALDH1A1USP2TDP1

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 MEN1 1550/4885KMT2A 2031/4885ALDH1A1 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.