SCHEMBL6320874

SCHEMBL6320874

C[C@@H](CC(c1ccc(O)cc1)c1ccc(O)cc1)N(Cc1ccccc1)C[C@H](O)CSc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
OPRK1 P41145 4/20 0.36
ADRA1A P35348 2/20 0.36
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6320867 1.00 BACE1 (0.41) BACE1OPRK1ADRA1ALMNAADRB2
SCHEMBL6323872 0.82 ADRA1A (0.49) OPRK1ADRA1ALMNAADRB2ADRB1
SCHEMBL6322935 0.78 ESR1 (0.38) BACE1OPRK1ADRA1ALMNAADRB2
SCHEMBL6322927 0.78 ESR1 (0.38) BACE1OPRK1ADRA1ALMNAADRB2
Hydrochloric Acid SCHEMBL6327403 0.69 POLB (0.53) ADRA1ALMNAHTR1AADRA2AADRA2B
Hydrochloric Acid SCHEMBL6320397 0.69 POLB (0.53) ADRA1ALMNAHTR1AADRA2AADRA2B
SCHEMBL6275079 0.67 AOC3 (0.51) BACE1MAPK1ALDH1A1MAOAMAOB
SCHEMBL9326763 0.64 TSHR (0.46) LMNACYP1A2CYP2D6TSHRMAPK1
SCHEMBL11238622 0.64 LMNA (0.46) OPRK1ADRA1ALMNAHTR1AADRA2A
SCHEMBL916141 0.64 MAOA (0.56) BACE1MAPK1ALDH1A1MAOAMAOB

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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 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 (2 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 BACE1 444/4885OPRK1 53/4885ADRA1A 4/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 BACE1 341/4885OPRK1 49/4885ADRA1A 4/4885

“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.