SCHEMBL4374792

SCHEMBL4374792

CCOC(=O)CN1CCN(C(CCC(=O)O)C(=O)O)CCN(CC(=O)OCC)Cc2cccc(n2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RY12 Q9H244 6/20 0.36
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NOTUM Q6P988 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
SCHEMBL14546793 0.96 BACE1 (0.39) BACE1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL4360997 0.94 BACE1 (0.37) BACE1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL4359522 0.90 BACE1 (0.39) BACE1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL12342823 0.88 MEN1 (0.38) BACE1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL4369094 0.87 ALB (0.39) LMNAALDH1A1
SCHEMBL14342342 0.84 HSD17B10 (0.35) MEN1KMT2AP2RY12ALDH1A1ALOX15
SCHEMBL1673061 0.84 HTR1A (0.37) BACE1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL12342853 0.84 MEN1 (0.37) BACE1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL1673149 0.83 SLC6A9 (0.39) ALDH1A1
SCHEMBL4363846 0.82 MAOB (0.41) LMNASMN1; SMN2NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 US disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 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-20090214441-A1 Lipophilic Chelates and Their Use in Imaging SLC40A1, TSPO, SLC47A2 BACE1 3350/4885LMNA 2880/4885SMN1; SMN2 4701/4885

“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.