SCHEMBL1174285

SCHEMBL1174285

CCN(CC)C(=O)[C@@H](OS(C)(=O)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 5/20 0.43
TSPO P30536 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 3/20 0.41
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
GLA P06280 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
MAPT P10636 2/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL1174287 1.00 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSPOL3MBTL1CYP3A4
SCHEMBL29103969 0.83 CYP3A4 (0.57) SMN1; SMN2ALDH1A1TSPOCYP3A4HPGD
SCHEMBL12282459 0.82 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1TSPOL3MBTL1CYP3A4
SCHEMBL12879677 0.79 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TSPOCYP3A4HPGD
SCHEMBL4926455 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4KMT2ALMNACYP2D6
SCHEMBL9342917 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4KMT2ALMNACYP2D6
SCHEMBL18288700 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TSPOL3MBTL1CYP3A4
SCHEMBL18288687 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TSPOL3MBTL1CYP3A4
SCHEMBL2488220 0.75 KMT2A (0.58) ALDH1A1L3MBTL1CYP3A4MEN1KMT2A
SCHEMBL2485143 0.75 KMT2A (0.58) ALDH1A1L3MBTL1CYP3A4MEN1KMT2A

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-8338426-B2 Piperazinyl derivatives useful as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-12-25 US disclosed
US-8338426-B2 Piperazinyl derivatives useful as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-12-25 US disclosed
US-20110046151-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-02-24 US disclosed
US-20110046151-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-02-24 US disclosed
WO-2009006185-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA, N.V. (BE) 2009-01-08 WO disclosed
WO-2009006185-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA, N.V. (BE) 2009-01-08 WO 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-20110046151-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R SMN1; SMN2 3067/4885ALDH1A1 4570/4885TSPO 644/4885

“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.