SCHEMBL90983

SCHEMBL90983

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3cccnc3)n[nH]2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
ALK Q9UM73 1/20 0.45
USP30 Q70CQ3 3/20 0.45
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
GRIA2 P42262 1/20 0.42
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
IGF1R P08069 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL90870 0.89 DRD4 (0.48) DRD2DRD4USP30MKNK1MKNK2
SCHEMBL90995 0.84 MEN1 (0.46) DRD2DRD4USP30MKNK1MKNK2
SCHEMBL91037 0.84 DRD4 (0.44) DRD2DRD4USP30ALDH1A1IGF1R
SCHEMBL91023 0.82 MKNK1 (0.57) DRD2DRD4MKNK1MKNK2IGF1R
SCHEMBL91004 0.82 DRD4 (0.57) DRD2DRD4CYP1A2ALDH1A1CYP3A4
SCHEMBL90872 0.82 PLK1 (0.48) USP30ALDH1A1MEN1POLBKMT2A
SCHEMBL91001 0.81 USP30 (0.54) USP30MEN1POLBKMT2A
SCHEMBL91005 0.80 MEN1 (0.61) DRD4USP30CYP1A2ALDH1A1CYP3A4
SCHEMBL90939 0.80 USP30 (0.52) DRD4USP30MKNK1MKNK2MEN1
SCHEMBL71885 0.80 PIK3CD (0.43) ALKCYP1A2ALDH1A1CYP3A4GRIA2

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 DRD2 351/4885DRD4 577/4885ALK 985/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R DRD2 351/4885DRD4 577/4885ALK 985/4885

“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.