SCHEMBL91029

SCHEMBL91029

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccc(Cl)cc3)c[nH]2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.35
IKBKB O14920 4/20 0.35
NPY5R Q15761 1/20 0.34
PSD A5PKW4 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDGFRB P09619 1/20 0.33
HSD11B1 P28845 1/20 0.33
DRD4 P21917 1/20 0.33
KDM1A O60341 1/20 0.33
CDC7 O00311 1/20 0.32
DAPK3 O43293 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
FLT3 P36888 1/20 0.32
CSNK1A1 P48729 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
SCHEMBL90866 0.89 ABL1 (0.36) GRIA2NPY5RNPC1RAB9ACDC7
SCHEMBL90997 0.89 NPY5R (0.35) NPY5RHSD11B1KDM1ACDC7DAPK3
SCHEMBL90906 0.88 HSD11B1 (0.39) PDGFRBHSD11B1CDC7DAPK3ROCK2
SCHEMBL90867 0.87 RIPK2 (0.37) NPY5RNPC1RAB9APDGFRBGSK3B
SCHEMBL69642 0.84 NPY5R (0.39) GRIA2NPY5RKDM1A
SCHEMBL90947 0.83 SYK (0.42) NPC1RAB9APDGFRBJAK3MAPT
SCHEMBL90974 0.83 BRD4 (0.41) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL71885 0.83 PIK3CD (0.43) GRIA2NPY5RPDGFRBKDM1ACDC7
SCHEMBL90863 0.82 SMN1; SMN2 (0.39) NPC1RAB9APDGFRBLMNAMAPT
SCHEMBL90946 0.81 KMT2A (0.41) NPC1RAB9AROCK2MAPTSMN1; SMN2

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 634/4885IKBKB 2117/4885NPY5R 1/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885IKBKB 2117/4885NPY5R 1/4885

“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.