SCHEMBL13438604

SCHEMBL13438604

CCCCc1ccc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
HPGD P15428 3/20 0.40
CNR2 P34972 3/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GHSR Q92847 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL13462785 1.00 KDM4E (0.41) KDM4ESPHK1HPGDCNR2POLB
SCHEMBL13438612 1.00 KDM4E (0.41) KDM4ESPHK1HPGDCNR2POLB
SCHEMBL13438903 0.93 CNR2 (0.37) SPHK1CNR2CA2
SCHEMBL11935220 0.93 CNR2 (0.37) SPHK1CNR2CA2
SCHEMBL13438600 0.88 CNR2 (0.47) KDM4ESPHK1HPGDCNR2POLB
SCHEMBL13462787 0.88 CNR2 (0.47) KDM4ESPHK1HPGDCNR2POLB
SCHEMBL17090352 0.88 ALDH1A1 (0.38) HPGDCNR2NPC1RAB9ACA2
SCHEMBL13564852 0.88 ALDH1A1 (0.38) HPGDCNR2NPC1RAB9ACA2
SCHEMBL17089946 0.87 NR1H4 (0.42) FFAR1FFAR4SMN1; SMN2EPHX2
SCHEMBL13564743 0.87 NR1H4 (0.42) FFAR1FFAR4SMN1; SMN2EPHX2

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 3 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-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 KDM4E 1765/4885SPHK1 917/4885HPGD 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.