SCHEMBL90957

SCHEMBL90957

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccc(F)cc3)n[nH]2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.57
MKNK2 Q9HBH9 2/20 0.57
GRIA2 P42262 13/20 0.53
CYP2C19 P33261 1/20 0.43
DRD4 P21917 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.41
MAP2K7 O14733 1/20 0.41
MAP2K4 P45985 1/20 0.41

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
SCHEMBL8576809 0.90 GRIA2 (0.46) MKNK1MKNK2GRIA2CYP2C19DRD4
SCHEMBL90978 0.88 DRD4 (0.48) MKNK1MKNK2GRIA2DRD4MEN1
SCHEMBL90865 0.88 GRIA2 (0.47) MKNK1MKNK2GRIA2CYP2C19MEN1
SCHEMBL91023 0.84 MKNK1 (0.57) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL91000 0.84 GRIA2 (0.44) MKNK1MKNK2GRIA2CYP2C19DRD4
SCHEMBL8552199 0.82 GRIA2 (0.45) MKNK1MKNK2GRIA2CYP2C19
SCHEMBL91036 0.81 GRIA2 (0.47) GRIA2DRD4MEN1KMT2ACYP1A2
SCHEMBL19806143 0.81 MKNK1 (0.82) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL91038 0.80 GRIA2 (0.47) GRIA2CYP2C19CYP1A2MAP2K7MAP2K4
SCHEMBL8595107 0.79 GRIA2 (0.47) GRIA2CYP2C19CYP1A2MAP2K7MAP2K4

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 MKNK1 3443/4885MKNK2 2861/4885GRIA2 634/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MKNK1 3443/4885MKNK2 2861/4885GRIA2 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.