SCHEMBL8553204

SCHEMBL8553204

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3cc(-c4ccccn4)ccc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 16/20 0.45
CYP2C19 P33261 1/20 0.43
CYP1A2 P05177 1/20 0.40
ABL1 P00519 1/20 0.36
SCD O00767 1/20 0.36
TGFBR1 P36897 1/20 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
SCHEMBL90897 0.86 ABL1 (0.36) ABL1SCDTGFBR1
SCHEMBL90961 0.82 GRIA2 (0.42) GRIA2CYP2C19CYP1A2
SCHEMBL90996 0.81 GRIA2 (0.43) GRIA2CYP2C19CYP1A2
SCHEMBL8572135 0.79 NPY5R (0.36) ABL1SCDTGFBR1
SCHEMBL3254498 0.77 GRIA2 (0.71) GRIA2CYP2C19CYP1A2
SCHEMBL90916 0.75 IKBKB (0.36) GRIA2TGFBR1
SCHEMBL90912 0.74 ABL1 (0.38) ABL1
SCHEMBL91022 0.73 SMO (0.37) ABL1
SCHEMBL90911 0.73 SMO (0.36) SCD
SCHEMBL8554483 0.71 PDK2 (0.37)

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-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (2 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885CYP2C19 1933/4885CYP1A2 2253/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885CYP2C19 1933/4885CYP1A2 2253/4885

“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.