SCHEMBL5439359

SCHEMBL5439359

O=C(O)NCCC(O)N[C@@H](CO)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CNR1 P21554 8/20 0.43
CNR2 P34972 6/20 0.43
RIPK1 Q13546 1/20 0.41
CASR P41180 3/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CCR3 P51677 1/20 0.39

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
SCHEMBL5440348 1.00 EPHX2 (0.45) EPHX2MTNR1AMTNR1BCNR1CNR2
SCHEMBL3357685 0.80 CASR (0.54) EPHX2MTNR1AMTNR1BCNR1CNR2
SCHEMBL3354878 0.80 CASR (0.54) EPHX2MTNR1AMTNR1BCNR1CNR2
SCHEMBL3357319 0.80 CASR (0.54) EPHX2MTNR1AMTNR1BCNR1CNR2
SCHEMBL3510106 0.75 MTNR1A (0.53) EPHX2MTNR1AMTNR1BCNR1CNR2
SCHEMBL2726416 0.75 MTNR1A (0.72) EPHX2MTNR1AMTNR1BCNR1CNR2
SCHEMBL10526965 0.74 RIPK1 (0.49) EPHX2RIPK1
SCHEMBL3347659 0.74 BCAT2 (0.53) EPHX2MTNR1AMTNR1BCNR1CNR2
SCHEMBL3311541 0.71 RIPK1 (0.60) EPHX2RIPK1METAP2METAP1
SCHEMBL668277 0.71 RIPK1 (0.60) EPHX2RIPK1METAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT EPHX2 636/4885MTNR1A 89/4885MTNR1B 80/4885

“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.