SCHEMBL90920

SCHEMBL90920

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.36
BRD4 O60885 3/20 0.33
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL90852 0.88 BRD4 (0.35) NPY5RBRD4BRD2BRD3TDP1
SCHEMBL91024 0.87 GRIA2 (0.41) NPY5R
SCHEMBL90853 0.87 NPY5R (0.39) NPY5RBRD4KMT2ATDP1IKBKB
SCHEMBL90914 0.87 NPY5R (0.34) NPY5RBRD4BRD2BRD3CDK9
SCHEMBL90943 0.84 CNR1 (0.36) NPY5RCNR1CNR2
SCHEMBL69615 0.83 NPY5R (0.36) NPY5RBRD4
SCHEMBL90966 0.82 NPY5R (0.38) NPY5RBRD4
SCHEMBL90856 0.82 NPY5R (0.32) NPY5RBRD4
SCHEMBL8594764 0.82 MKNK2 (0.34) NPY5RBRD4BRD2BRD3CDK9
SCHEMBL90971 0.82 HPGDS (0.38) NPY5RBRD4CNR2

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 NPY5R 1/4885BRD4 482/4885BRD2 832/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885BRD4 482/4885BRD2 832/4885

“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.