SCHEMBL91043

SCHEMBL91043

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3ccccc3)c2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.46
KDM4E B2RXH2 1/20 0.42
GRIA2 P42262 9/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
ATM Q13315 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIA4 P48058 2/20 0.35

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
SCHEMBL90984 0.88 MAP2K4 (0.43) GRM5GRIA2CYP1A2ATMADORA1
SCHEMBL90929 0.88 ATM (0.53) GRM5GRIA2CYP1A2ATMADORA2A
SCHEMBL8575311 0.86 GRM5 (0.47) GRM5KDM4EMEN1KMT2AATM
SCHEMBL8576816 0.85 GRM5 (0.46) GRM5KDM4EMEN1KMT2AATM
SCHEMBL8594191 0.84 KDM4E (0.45) KDM4EGRIA2CYP1A2DRD2DRD4
SCHEMBL90956 0.84 KDM4E (0.45) KDM4EGRIA2CYP1A2DRD2DRD4
SCHEMBL90973 0.80 GRIA2 (0.46) GRIA2KCNH2GRIA4
SCHEMBL90940 0.79 GRIA2 (0.45) GRIA2CYP1A2
SCHEMBL8594865 0.78 GRIA2 (0.39) GRIA2CYP1A2DRD2GRIA4
SCHEMBL91008 0.76 MAP2K4 (0.41) GRM5MEN1KMT2AADORA2AADORA1

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 GRM5 97/4885KDM4E 1623/4885GRIA2 634/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRM5 97/4885KDM4E 1623/4885GRIA2 634/4885

“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.