SCHEMBL3049159

SCHEMBL3049159

O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2ccc3ccn(CCO)c(=O)c3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDK2 Q15119 2/20 0.38
POLB P06746 1/20 0.37
DRD4 P21917 3/20 0.37
CYP2D6 P10635 2/20 0.37
DRD2 P14416 2/20 0.37
SSTR1 P30872 2/20 0.37
SSTR2 P30874 2/20 0.37
SSTR4 P31391 2/20 0.37
SSTR3 P32745 2/20 0.37
F10 P00742 2/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
UBE2N P61088 1/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL1920866 0.89 KDM4E (0.46) KDM4ECYP3A4CYP2C19PDK2POLB
SCHEMBL3050675 0.78 LMNA (0.46) CYP3A4CYP2C19PDK2SMN1; SMN2HTT
SCHEMBL1920229 0.77 KMT2A (0.41) PDK2DRD4CYP2D6DRD2SSTR1
SCHEMBL1919543 0.76 PDK2 (0.40) PDK2DRD4CYP2D6DRD2SSTR1
SCHEMBL18130555 0.76 GAA (0.47)
SCHEMBL22397770 0.73 POLB (0.52) POLBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13327274 0.73 POLB (0.52) POLBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14599486 0.73 GAA (0.53) KDM4EPDK2POLBDRD4SMN1; SMN2
SCHEMBL1919919 0.73 ENPP2 (0.47)
SCHEMBL1919527 0.73 ENPP2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 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-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS NPY2R, NPY1R, NPY4R KDM4E 2600/4885CYP3A4 3144/4885CYP2C19 1559/4885

“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.