SCHEMBL3901985

SCHEMBL3901985

O=C(O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
CYP1A2 P05177 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
BACE1 P56817 4/20 0.49
SLC6A11 P48066 1/20 0.49
ALOX15 P16050 1/20 0.48
DRD4 P21917 1/20 0.48
BCHE P06276 2/20 0.47
GAA P10253 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL3901991 1.00 ATM (0.51) ATMCYP1A2ADRB2ADRB1ADRB3
SCHEMBL6895596 1.00 ATM (0.51) ATMCYP1A2ADRB2ADRB1ADRB3
SCHEMBL3347686 0.86 BACE1 (0.50) BACE1SLC6A11BCHE
SCHEMBL3347692 0.86 BACE1 (0.50) BACE1SLC6A11BCHE
SCHEMBL3357521 0.84 BACE1 (0.48) BACE1SLC6A11BCHE
SCHEMBL3351374 0.84 BCHE (0.48) BACE1SLC6A11BCHEKDM4E
SCHEMBL3357526 0.84 BACE1 (0.48) BACE1SLC6A11BCHE
SCHEMBL3351369 0.84 BCHE (0.48) BACE1SLC6A11BCHEKDM4E
SCHEMBL7051379 0.84 BCHE (0.48) BACE1SLC6A11BCHEKDM4E
SCHEMBL7306846 0.84 BACE1 (0.60) BACE1SLC6A11BCHE

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-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 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 (3 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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP ATM 2313/4885CYP1A2 226/4885ADRB2 214/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT ATM 1839/4885CYP1A2 823/4885ADRB2 222/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE ATM 3132/4885CYP1A2 230/4885ADRB2 710/4885

“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.