SCHEMBL13438992

SCHEMBL13438992

CC(C)(C)SN[C@H]1CC[C@H](CNc2ccc(F)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
BACE1 P56817 2/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
CNR2 P34972 8/20 0.36
CRHR1 P34998 2/20 0.34
MCHR1 Q99705 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH3A1 P30838 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
NPY5R Q15761 1/20 0.32
SOS1 Q07889 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL11941000 1.00 JAK2 (0.39) JAK2JAK1TYK2JAK3BACE1
SCHEMBL11941159 0.90 BACE1 (0.36) JAK2JAK1TYK2JAK3BACE1
SCHEMBL13439018 0.90 BACE1 (0.36) JAK2JAK1TYK2JAK3BACE1
SCHEMBL13439002 0.88 CNR2 (0.45) JAK2JAK1BACE1BACE2CNR2
SCHEMBL11941157 0.88 CNR2 (0.45) JAK2JAK1BACE1BACE2CNR2
SCHEMBL13113878 0.85 JAK2 (0.36) JAK2JAK1TYK2JAK3BACE1
SCHEMBL13439025 0.80 ALDH1A1 (0.35) BACE1CNR2CRHR1ALDH1A1ALDH3A1
SCHEMBL13105776 0.80 ALDH1A1 (0.35) BACE1CNR2CRHR1ALDH1A1ALDH3A1
SCHEMBL1241010 0.80 CNR2 (0.46) JAK2JAK1TYK2JAK3BACE1
SCHEMBL13438994 0.79 CXCR2 (0.34) CNR2CRHR1

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 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 JAK2 323/4885JAK1 950/4885TYK2 562/4885

“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.