SCHEMBL11935720

SCHEMBL11935720

CC(C)S(=O)(=O)NCCCCCNc1cccc(N2C[C@@H](C)O[C@@H](C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.51
KCNH2 Q12809 1/20 0.45
BRD4 O60885 4/20 0.40
GRIA1 P42261 3/20 0.40
NPY5R Q15761 4/20 0.37
GHSR Q92847 2/20 0.37

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
SCHEMBL11940090 1.00 HTR1A (0.51) HTR1AKCNH2BRD4GRIA1NPY5R
SCHEMBL17090211 0.87 MAPT (0.44) HTR1ABRD4GRIA1NPY5R
SCHEMBL11935053 0.87 MAPT (0.44) HTR1ABRD4GRIA1NPY5R
SCHEMBL11941099 0.87 MAPT (0.44) HTR1ABRD4GRIA1NPY5R
SCHEMBL17090394 0.85 GHSR (0.39) HTR1AKCNH2BRD4NPY5RGHSR
SCHEMBL13565733 0.85 GHSR (0.39) HTR1AKCNH2BRD4NPY5RGHSR
SCHEMBL10134139 0.85 HTR1A (0.56) HTR1AKCNH2
SCHEMBL10115227 0.85 HTR1A (0.56) HTR1AKCNH2
SCHEMBL11941199 0.84 BRD4 (0.41) HTR1ABRD4GRIA1NPY5R
SCHEMBL13565182 0.84 TDP1 (0.44) NPY5R

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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 (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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R HTR1A 99/4885KCNH2 556/4885BRD4 1136/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HTR1A 146/4885KCNH2 871/4885BRD4 1431/4885

“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.