SCHEMBL11941266

SCHEMBL11941266

Cc1cc(N2CC(C)OC(C)C2C)ccc1NCc1ccc(NS(=O)(=O)C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
POLB P06746 2/20 0.31
BRD4 O60885 1/20 0.31
GRIA2 P42262 1/20 0.31
PARP1 P09874 1/20 0.30
MAPT P10636 3/20 0.30
TDP1 Q9NUW8 3/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 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
SCHEMBL11936097 1.00 L3MBTL1 (0.33) L3MBTL1CRHBPCRHR2POLBBRD4
SCHEMBL13565508 0.88 MAPT (0.37) L3MBTL1CRHBPCRHR2BRD4MAPT
SCHEMBL13565361 0.88 MAPT (0.37) L3MBTL1CRHBPCRHR2BRD4MAPT
SCHEMBL17090292 0.87 L3MBTL1 (0.33) L3MBTL1CRHBPCRHR2POLBBRD4
SCHEMBL13565966 0.87 L3MBTL1 (0.35) L3MBTL1CRHBPCRHR2POLBBRD4
SCHEMBL17090553 0.87 L3MBTL1 (0.35) L3MBTL1CRHBPCRHR2POLBBRD4
SCHEMBL17090298 0.84 BRD4 (0.35) BRD4LMNAKDM4E
SCHEMBL10116596 0.83 THRB (0.40) L3MBTL1CRHBPCRHR2MAPTALDH1A1
SCHEMBL10134215 0.83 THRB (0.40) L3MBTL1CRHBPCRHR2MAPTALDH1A1
SCHEMBL11940811 0.81 POLB (0.33) L3MBTL1CRHBPCRHR2POLBMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R L3MBTL1 3168/4885CRHBP 291/4885CRHR2 17/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R L3MBTL1 3162/4885CRHBP 329/4885CRHR2 36/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R L3MBTL1 4229/4885CRHBP 313/4885CRHR2 22/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R L3MBTL1 3233/4885CRHBP 389/4885CRHR2 54/4885

“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.