SCHEMBL13105496

SCHEMBL13105496

CC(C)S(=O)(=O)NCCCCCNCc1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 3/20 0.46
▸ NPY5R Q15761 8/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ NPY1R P25929 2/20 0.41
▸ SLC2A1 P11166 2/20 0.40
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CHRM2 P08172 1/20 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
SCHEMBL13564786 0.84 NPY5R (0.44) NPY5RCYP1A2HDAC1HDAC2NPY1R
SCHEMBL10113871 0.83 HDAC1 (0.63) NPY5RCYP1A2HDAC1HDAC2HDAC6
SCHEMBL28608296 0.79 GPBAR1 (0.49) CYP1A2HDAC1HDAC2SLC2A1HDAC8
SCHEMBL13105494 0.78 NPY5R (0.67) GRIA1NPY5RHDAC1HDAC2NPY1R
SCHEMBL10614795 0.77 HDAC1 (0.48) CYP1A2HDAC1HDAC2HDAC8HDAC6
SCHEMBL11935004 0.76 MC4R (0.48) HDAC1HDAC2HDAC8HDAC6CHRM2
SCHEMBL3269912 0.76 GPBAR1 (0.48) CYP1A2HDAC1HDAC2HDAC8HDAC6
SCHEMBL30022211 0.76 GPBAR1 (0.48) CYP1A2HDAC1HDAC2HDAC8HDAC6
SCHEMBL13565657 0.75 CA2 (0.49) GRIA1CYP1A2SLC2A1CHRM2
SCHEMBL30388584 0.75 KDM1A (0.50) CYP1A2HDAC1HDAC2HDAC8HDAC6

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 1/4885CYP1A2 1378/4885

“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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