SCHEMBL11942267

SCHEMBL11942267

Cc1cc(N2CC(C)OC(C)C2C)ccc1NCCCCCNS(=O)(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.36
NPY5R Q15761 8/20 0.33
BRD4 O60885 4/20 0.33
HTR1A P08908 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 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
SCHEMBL11935787 1.00 GRIA1 (0.36) GRIA1NPY5RBRD4HTR1AMEN1
SCHEMBL13439353 1.00 GRIA1 (0.36) GRIA1NPY5RBRD4HTR1AMEN1
SCHEMBL13564952 0.87 BRD4 (0.42) GRIA1NPY5RBRD4HTR1A
SCHEMBL13564934 0.87 NPY5R (0.33) NPY5RBRD4MEN1KMT2A
SCHEMBL17090410 0.87 NPY5R (0.33) NPY5RBRD4MEN1KMT2A
SCHEMBL13204592 0.87 KMT2A (0.41) HTR1AMEN1KMT2A
SCHEMBL10115352 0.87 KMT2A (0.41) HTR1AMEN1KMT2A
SCHEMBL11935793 0.86 GRIA1 (0.36) GRIA1NPY5R
SCHEMBL11942268 0.86 GRIA1 (0.36) GRIA1NPY5R
SCHEMBL13565347 0.85 GRIA1 (0.40) GRIA1NPY5RBRD4HTR1AKCNH2

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 GRIA1 390/4885NPY5R 1/4885BRD4 1136/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R GRIA1 429/4885NPY5R 1/4885BRD4 1297/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA1 413/4885NPY5R 1/4885BRD4 1156/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R GRIA1 427/4885NPY5R 1/4885BRD4 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.