SCHEMBL2806983

SCHEMBL2806983

O=C(O)N1C[C@@H](COCc2ccccc2)O[C@@H](CO)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GRM5 P41594 2/20 0.42
HRH4 Q9H3N8 4/20 0.42
HRH3 Q9Y5N1 4/20 0.42
AGTR2 P50052 1/20 0.40
DRD1 P21728 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDE4D Q08499 1/20 0.39
SLC6A2 P23975 1/20 0.39
PTPN1 P18031 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDC25B P30305 1/20 0.38

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
SCHEMBL17005427 1.00 LMNA (0.46) LMNAGRM5HRH4HRH3AGTR2
SCHEMBL3128357 1.00 LMNA (0.46) LMNAGRM5HRH4HRH3AGTR2
SCHEMBL16653935 0.87 SMN1; SMN2 (0.45) LMNAHRH4HRH3L3MBTL1PTPN1
SCHEMBL21801870 0.87 SMN1; SMN2 (0.45) LMNAHRH4HRH3L3MBTL1PTPN1
SCHEMBL19181699 0.87 LMNA (0.44) LMNAGRM5HRH4HRH3AGTR2
SCHEMBL23249940 0.87 SMN1; SMN2 (0.45) LMNAHRH4HRH3L3MBTL1PTPN1
SCHEMBL17188998 0.87 LMNA (0.44) LMNAGRM5HRH4HRH3AGTR2
SCHEMBL17005348 0.87 LMNA (0.44) LMNAGRM5HRH4HRH3AGTR2
SCHEMBL23249892 0.87 SMN1; SMN2 (0.45) LMNAHRH4HRH3L3MBTL1PTPN1
SCHEMBL3487774 0.87 SMN1; SMN2 (0.45) LMNAHRH4HRH3L3MBTL1PTPN1

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
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 LMNA 1966/4885GRM5 926/4885HRH4 127/4885

“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.