SCHEMBL4584689

SCHEMBL4584689

COC(=O)c1ccc(-c2ccc(OCCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)cc1SC(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.50
ADRB1 P08588 7/20 0.50
ADRB2 P07550 2/20 0.42
LMNA P02545 2/20 0.42
HIF1A Q16665 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
OPRM1 P35372 2/20 0.42
CYP2D6 P10635 1/20 0.42
GALR3 O60755 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC2A1 P11166 1/20 0.41

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
SCHEMBL4584693 1.00 ADRB3 (0.50) ADRB3ADRB1ADRB2LMNAHIF1A
Hydrochloric Acid SCHEMBL4583995 0.91 ADRB3 (0.57) ADRB3ADRB1ADRB2LMNAHIF1A
Hydrochloric Acid SCHEMBL4584000 0.91 ADRB3 (0.57) ADRB3ADRB1ADRB2LMNAHIF1A
Hydrochloric Acid SCHEMBL4584705 0.86 ADRB3 (0.60) ADRB3ADRB1ADRB2LMNAHIF1A
Hydrochloric Acid SCHEMBL4584696 0.86 ADRB3 (0.60) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3194388 0.80 ADRB3 (0.42) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3194378 0.80 ADRB3 (0.42) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL4582748 0.80 MAPT (0.42) ADRB3ADRB1CYP2D6
SCHEMBL3026717 0.78 ADRB3 (0.60) ADRB3ADRB1
SCHEMBL3026723 0.78 ADRB3 (0.60) ADRB3ADRB1

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 ADRB3 86/4885ADRB1 70/4885ADRB2 58/4885

“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.