SCHEMBL13438596

SCHEMBL13438596

CCCCc1ccc(NCCCCCCCNS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
EPHX1 P07099 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA2 P00918 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 1/20 0.41
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 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
SCHEMBL11934794 1.00 HPGD (0.46) HPGDEPHX1FFAR1FFAR4NPC1
SCHEMBL13564843 0.99 HPGD (0.47) HPGDEPHX1FFAR1FFAR4NPC1
SCHEMBL13565863 0.93 EPHX1 (0.43) HPGDEPHX1FFAR1FFAR4NPC1
SCHEMBL11934793 0.90 HPGD (0.44) HPGDEPHX1FFAR1FFAR4NPC1
SCHEMBL13565792 0.87 EPHX1 (0.41) HPGDEPHX1FFAR4MEN1KMT2A
SCHEMBL13565491 0.86 MEN1 (0.36) HPGDEPHX1FFAR1FFAR4MEN1
SCHEMBL17089970 0.85 NR1H4 (0.47) FFAR1FFAR4SMN1; SMN2MAPK1
SCHEMBL13564771 0.84 S1PR1 (0.51) SMN1; SMN2LMNA
SCHEMBL17089969 0.83 PTPRB (0.42) CA2CA12CA1CA9KDM4E
SCHEMBL10113009 0.83 HPGD (0.56) HPGDNPC1RAB9ACA2SMN1; SMN2

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 HPGD 2703/4885EPHX1 3216/4885FFAR1 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.