SCHEMBL91024

SCHEMBL91024

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(-c4ccc(F)nc4)ccc3[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.41
MAPT P10636 6/20 0.39
SYK P43405 1/20 0.36
NPY5R Q15761 1/20 0.36
LIPG Q9Y5X9 8/20 0.35
TDO2 P48775 1/20 0.34
LIPC P11150 1/20 0.34
MAP2K7 O14733 1/20 0.33
MAP2K4 P45985 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
SCHEMBL90938 0.89 KCNH2 (0.35) GRIA2MAPTNPY5RLIPG
SCHEMBL90920 0.87 NPY5R (0.36) NPY5R
SCHEMBL91021 0.86 GRIA2 (0.40) GRIA2MAPTSYKNPY5RLIPG
SCHEMBL8594764 0.85 MKNK2 (0.34) MAPTNPY5R
SCHEMBL90993 0.83 CDK9 (0.33) GRIA2NPY5R
SCHEMBL90943 0.82 CNR1 (0.36) NPY5R
SCHEMBL90911 0.81 SMO (0.36) MAPTSYKNPY5R
SCHEMBL90858 0.80 NPY5R (0.36) GRIA2NPY5RTDO2MAP2K7MAP2K4
SCHEMBL90852 0.80 BRD4 (0.35) GRIA2NPY5R
SCHEMBL8594209 0.80 RAB9A (0.34) SYKNPY5R

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 634/4885MAPT 3211/4885SYK 943/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885MAPT 3211/4885SYK 943/4885

“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.