SCHEMBL91031

SCHEMBL91031

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.49
MAOB P27338 7/20 0.49
MAOA P21397 5/20 0.49
NPY5R Q15761 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 2/20 0.39
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
RPS6KA3 P51812 1/20 0.38
XDH P47989 1/20 0.37
ADORA1 P30542 1/20 0.36
GRIA2 P42262 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL90997 0.86 NPY5R (0.35) KDM1AMAOBMAOANPY5RCSNK1A1
SCHEMBL90906 0.86 HSD11B1 (0.39) CSNK1A1PIM1
SCHEMBL90992 0.85 TYRO3 (0.40) KCNH2XDHPIM1
SCHEMBL90975 0.84 PLK1 (0.40) KDM1AMEN1KMT2A
SCHEMBL90986 0.83 LRRK2 (0.38) KDM1AXDH
SCHEMBL71885 0.82 PIK3CD (0.43) KDM1AMAOBMAOANPY5RKCNH2
SCHEMBL8527347 0.82 WDR5 (0.37) PIM1
SCHEMBL90866 0.81 ABL1 (0.36) NPY5RMEN1KMT2ACSNK1A1GRIA2
SCHEMBL91029 0.80 GRIA2 (0.35) KDM1ANPY5RCSNK1A1GRIA2
SCHEMBL69642 0.80 NPY5R (0.39) KDM1AMAOBMAOANPY5RKCNH2

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 KDM1A 2044/4885MAOB 804/4885MAOA 1121/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KDM1A 2044/4885MAOB 804/4885MAOA 1121/4885

“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.