SCHEMBL13438587

SCHEMBL13438587

CCCCc1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.51
GRIA4 P48058 2/20 0.48
HPGD P15428 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SPHK1 Q9NYA1 1/20 0.42
NPY5R Q15761 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 2/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL13438595 1.00 GRIA1 (0.51) GRIA1GRIA4HPGDFFAR1FFAR4
SCHEMBL13564829 1.00 GRIA1 (0.51) GRIA1GRIA4HPGDFFAR1FFAR4
SCHEMBL13438584 0.99 GRIA4 (0.49) GRIA1GRIA4HPGDFFAR1FFAR4
SCHEMBL13438592 0.96 GRIA4 (0.49) GRIA1GRIA4HPGDFFAR1FFAR4
SCHEMBL13565956 0.93 GRIA1 (0.53) GRIA1GRIA4HPGDFFAR1FFAR4
SCHEMBL13438588 0.92 GRIA4 (0.50) GRIA1GRIA4HPGDFFAR1FFAR4
SCHEMBL11934795 0.90 MEN1 (0.46) HPGDFFAR1FFAR4SMN1; SMN2NPC1
SCHEMBL13565974 0.89 GRIA1 (0.58) GRIA1GRIA4HPGDNPY5RMEN1
SCHEMBL11935070 0.85 FFAR1 (0.47) GRIA1GRIA4FFAR1SMN1; SMN2
SCHEMBL11935068 0.83 GRIA1 (0.44) GRIA1GRIA4NPY5RCA2CA12

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 5 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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 GRIA1 390/4885GRIA4 510/4885HPGD 2703/4885

“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.