SCHEMBL5633286

SCHEMBL5633286

CCCCN1C(=O)C(=C(N)N)C(=O)N(C2CCC(c3ccccc3)C2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRD1 P41143 5/20 0.41
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
GRM2 Q14416 1/20 0.35
SLC18A3 Q16572 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL5632794 0.80 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL30943167 0.79 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1
SCHEMBL5634058 0.78 CDC25B (0.37) ALDH1A1MAPTL3MBTL1LMNAHTT
SCHEMBL5633658 0.78 OPRM1 (0.35) OPRM1OPRD1ALDH1A1MAPTL3MBTL1
SCHEMBL5633433 0.77 CDC25B (0.38) ALDH1A1MAPTL3MBTL1LMNAHPGD
SCHEMBL5634034 0.77 CDC25B (0.38) ALDH1A1MAPTL3MBTL1LMNAHPGD
SCHEMBL5633330 0.77 CDC25B (0.38) ALDH1A1MAPTL3MBTL1LMNAHPGD
SCHEMBL30942848 0.75 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1
SCHEMBL30942880 0.75 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL30942907 0.74 L3MBTL1 (0.31) ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123548-A1 Pth agonists COWAN DAVID J 2007-05-31 US claimed
US-20070123548-A1 Pth agonists COWAN DAVID J 2007-05-31 US disclosed
EP-1713782-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005077918-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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-20070123548-A1 Pth agonists PTH1R, SSTR3, CALCR OPRM1 757/4885OPRD1 470/4885ALDH1A1 3899/4885

“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.