SCHEMBL91023

SCHEMBL91023

CC(C)(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 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.57
MKNK2 Q9HBH9 2/20 0.57
DRD4 P21917 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.41
MAP2K7 O14733 1/20 0.41
MAP2K4 P45985 1/20 0.41
MCHR1 Q99705 1/20 0.41
PRCP P42785 3/20 0.39
IGF1R P08069 1/20 0.38
POLB P06746 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CA12 O43570 1/20 0.38
ALPL P05186 1/20 0.38
RPA1 P27694 1/20 0.38

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
SCHEMBL91004 0.89 DRD4 (0.57) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL90870 0.88 DRD4 (0.48) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL90995 0.88 MEN1 (0.46) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL91005 0.87 MEN1 (0.61) DRD4MEN1KMT2AHTTPOLB
SCHEMBL90939 0.86 USP30 (0.52) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL90957 0.84 MKNK1 (0.57) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL8547726 0.84 MKNK1 (0.39) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL8594304 0.82 MKNK1 (0.40) MKNK1MKNK2MEN1KMT2APOLB
SCHEMBL90983 0.82 DRD2 (0.50) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL91033 0.82 MKNK1 (0.42) MKNK1MKNK2MEN1KMT2AHTT

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 2861/4885DRD4 577/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MKNK1 3443/4885MKNK2 2861/4885DRD4 577/4885

“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.