SCHEMBL5437641

SCHEMBL5437641

C[C@H](NCCCN(O)C(=O)O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
CASR P41180 5/20 0.48
OPRM1 P35372 3/20 0.48
ADRA2C P18825 2/20 0.48
SLC6A2 P23975 2/20 0.48
HTR2C P28335 2/20 0.48
SLC6A4 P31645 2/20 0.48
DRD3 P35462 2/20 0.48
MLNR O43193 1/20 0.48
ABCB11 O95342 1/20 0.48
ADRB1 P08588 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
CHRM3 P20309 1/20 0.48
GLRA1 P23415 1/20 0.48
AVPR2 P30518 1/20 0.48
HRH1 P35367 1/20 0.48
MC3R P41968 1/20 0.48

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
SCHEMBL5435297 1.00 EPHX2 (0.50) EPHX2CASROPRM1ADRA2CSLC6A2
SCHEMBL3357314 0.80 CYP3A4 (0.50) EPHX2CASROPRM1SLC6A2SLC6A4
SCHEMBL3354867 0.80 CYP3A4 (0.50) EPHX2CASROPRM1SLC6A2SLC6A4
SCHEMBL3357678 0.80 CYP3A4 (0.50) EPHX2CASROPRM1SLC6A2SLC6A4
SCHEMBL5473700 0.78 CASR (0.57) EPHX2CASROPRM1ADRA2CSLC6A2
SCHEMBL5473697 0.78 CASR (0.57) EPHX2CASROPRM1ADRA2CSLC6A2
SCHEMBL14228755 0.77 CASR (0.57) EPHX2CASROPRM1ADRA2CSLC6A2
SCHEMBL27529860 0.77 CASR (0.57) EPHX2CASROPRM1ADRA2CSLC6A2
SCHEMBL27455481 0.77 CASR (0.57) EPHX2CASROPRM1ADRA2CSLC6A2
SCHEMBL2130358 0.77 EPHX2 (0.64) EPHX2CASROPRM1ADRA2CSLC6A2

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 636/4885CASR 2993/4885OPRM1 1228/4885

“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.