SCHEMBL13438588

SCHEMBL13438588

CCCCc1ccc(NCCNS(=O)(=O)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.50
HPGD P15428 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 3/20 0.43
CA2 P00918 2/20 0.43
HTT P42858 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
TSHR P16473 1/20 0.43
GRIA1 P42261 3/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SPHK1 Q9NYA1 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
SCHEMBL13438592 0.93 GRIA4 (0.49) GRIA4HPGDFFAR1FFAR4SMN1; SMN2
SCHEMBL13438584 0.93 GRIA4 (0.49) GRIA4HPGDFFAR1FFAR4SMN1; SMN2
SCHEMBL13438595 0.92 GRIA1 (0.51) GRIA4HPGDFFAR1FFAR4SMN1; SMN2
SCHEMBL13438587 0.92 GRIA1 (0.51) GRIA4HPGDFFAR1FFAR4SMN1; SMN2
SCHEMBL13564829 0.92 GRIA1 (0.51) GRIA4HPGDFFAR1FFAR4SMN1; SMN2
SCHEMBL6762111 0.88 GRIA4 (0.63) GRIA4SMN1; SMN2CA2CA12CA1
SCHEMBL11934783 0.84 HPGD (0.47) GRIA4HPGDFFAR1FFAR4SMN1; SMN2
SCHEMBL13565956 0.84 GRIA1 (0.53) GRIA4HPGDFFAR1FFAR4LMNA
SCHEMBL13564961 0.84 GRIA4 (0.44) GRIA4HPGDFFAR1FFAR4SMN1; SMN2
SCHEMBL11934795 0.81 MEN1 (0.46) HPGDFFAR1FFAR4SMN1; SMN2NPC1

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 GRIA4 510/4885HPGD 2703/4885FFAR1 166/4885

“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.