SCHEMBL13439005

SCHEMBL13439005

CS(=O)(=O)N[C@H]1CC[C@H](CNc2ccc3c(c2)CCC3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MET P08581 1/20 0.40
NPY5R Q15761 3/20 0.40
APOB P04114 2/20 0.40
MTTP P55157 2/20 0.40
ALDH3A1 P30838 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL11935318 1.00 SMN1; SMN2 (0.42) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL11934887 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL11935136 0.87 NPY5R (0.41) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL11936151 0.87 NPY5R (0.41) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL13438769 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL17090173 0.84 SMN1; SMN2 (0.38) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL17090253 0.84 NPC1 (0.38) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL17090256 0.84 CNR2 (0.39) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL13565752 0.84 NPC1 (0.38) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL13565917 0.84 SMN1; SMN2 (0.38) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2D6

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 SMN1; SMN2 1734/4885NPC1 2907/4885CYP1A2 1578/4885

“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.