SCHEMBL11935751

SCHEMBL11935751

CC(C)[C@@H]1CN(c2ccc(NCCCCCNS(=O)(=O)C(C)C)cc2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.39
HTR1A P08908 2/20 0.38
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPY5R Q15761 6/20 0.34
TRPA1 O75762 3/20 0.34
FFAR2 O15552 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13105787 1.00 GRIA1 (0.39) GRIA1HTR1AALDH1A1L3MBTL1MAPT
SCHEMBL13565139 0.88 TRPA1 (0.35) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL17090271 0.88 TRPA1 (0.35) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL10115299 0.85 CNR1 (0.44) HTR1AALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL10133259 0.85 CNR1 (0.44) HTR1AALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL11935035 0.85 MAPT (0.48) GRIA1HTR1AALDH1A1L3MBTL1MAPT
SCHEMBL11935577 0.84 SYK (0.38) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL13105730 0.84 SYK (0.38) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL11935041 0.80 GRIA1 (0.49) GRIA1HTR1AALDH1A1L3MBTL1MAPT
SCHEMBL11935067 0.80 GRIA1 (0.41) GRIA1HTR1ANPY5R

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-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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R GRIA1 429/4885HTR1A 166/4885ALDH1A1 3735/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R GRIA1 427/4885HTR1A 146/4885ALDH1A1 3361/4885

“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.