SCHEMBL13105490

SCHEMBL13105490

CC(C)S(=O)(=O)NCCCCCNCc1ccnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 3/20 0.45
▸ NPY5R Q15761 4/20 0.44
▸ SLC2A1 P11166 8/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ NPY1R P25929 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL13564777 0.83 SLC2A1 (0.45) NPY5RSLC2A1HTR1AADRA1DADRA1A
SCHEMBL10113867 0.83 ALDH1A1 (0.40) GRIA1NPY5RNPY1R
SCHEMBL13565657 0.81 CA2 (0.49) GRIA1SLC2A1
SCHEMBL15826444 0.79 S1PR2 (0.52) SLC2A1HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL17260150 0.78 SLC2A1 (0.52) SLC2A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL11935003 0.77 LOXL2 (0.54) SLC2A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL3265308 0.76 LOXL2 (0.49) SLC2A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL13565855 0.76 HTR1A (0.56) GRIA1NPY5RHTR1AADRA1DADRA1A
SCHEMBL13105496 0.75 GRIA1 (0.46) GRIA1NPY5RSLC2A1NPY1R
SCHEMBL13565089 0.74 NPY5R (0.55) NPY5RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 — — US disclosed
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-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 — — 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 (1 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-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA1 413/4885NPY5R 1/4885SLC2A1 1740/4885

“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.

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