SCHEMBL13438951

SCHEMBL13438951

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2cccc(S)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CRHR1 P34998 3/20 0.38
CNR2 P34972 6/20 0.36
ALDH1A1 P00352 1/20 0.34
ALDH3A1 P30838 1/20 0.34
NPY5R Q15761 2/20 0.34
MCHR1 Q99705 2/20 0.34
ADRA2A P08913 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL13462606 1.00 BRD4 (0.38) BRD4CRHR1CNR2ALDH1A1ALDH3A1
SCHEMBL13564748 0.87 BRD4 (0.38) BRD4CRHR1CNR2ALDH1A1ALDH3A1
SCHEMBL17090297 0.87 BRD4 (0.38) BRD4CRHR1CNR2ALDH1A1ALDH3A1
SCHEMBL17090174 0.86 CRHR1 (0.49) BRD4CRHR1CNR2NPY5R
SCHEMBL13565514 0.86 OPRD1 (0.43) BRD4CRHR1CNR2ALDH1A1NPY5R
SCHEMBL13438930 0.86 CRHR1 (0.50) CRHR1CNR2POLB
SCHEMBL11935248 0.86 CRHR1 (0.50) CRHR1CNR2POLB
SCHEMBL17089962 0.86 OPRD1 (0.43) BRD4CRHR1CNR2ALDH1A1NPY5R
SCHEMBL13565550 0.86 CRHR1 (0.49) BRD4CRHR1CNR2NPY5R
SCHEMBL13438902 0.85 CRHR1 (0.44) CRHR1CNR2ALDH1A1ALDH3A1NPY5R

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 BRD4 1136/4885CRHR1 21/4885CNR2 39/4885

“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.