SCHEMBL3581425

SCHEMBL3581425

CC(C)Oc1ccc(CCNC(C)C(O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.62
ADRB1 P08588 5/20 0.62
LMNA P02545 3/20 0.59
ADRB2 P07550 2/20 0.59
HIF1A Q16665 2/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A4 P31645 2/20 0.59
OPRM1 P35372 2/20 0.59
CYP2D6 P10635 2/20 0.59
GALR3 O60755 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRK1 P41145 1/20 0.59
SLC6A3 Q01959 1/20 0.59
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SLC2A1 P11166 1/20 0.49

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
SCHEMBL3581431 1.00 ADRB3 (0.62) ADRB3ADRB1LMNAADRB2HIF1A
SCHEMBL3581428 1.00 ADRB3 (0.62) ADRB3ADRB1LMNAADRB2HIF1A
SCHEMBL1352658 0.87 ADRB3 (0.67) ADRB3ADRB1LMNAADRB2HIF1A
SCHEMBL1352656 0.87 ADRB3 (0.67) ADRB3ADRB1LMNAADRB2HIF1A
SCHEMBL1352451 0.87 ADRB3 (0.67) ADRB3ADRB1LMNAADRB2HIF1A
SCHEMBL1351570 0.87 ADRB3 (0.67) ADRB3ADRB1LMNAADRB2HIF1A
SCHEMBL1352449 0.87 ADRB3 (0.67) ADRB3ADRB1LMNAADRB2HIF1A
SCHEMBL1351574 0.87 ADRB3 (0.67) ADRB3ADRB1LMNAADRB2HIF1A
SCHEMBL1352446 0.87 ADRB3 (0.67) ADRB3ADRB1LMNAADRB2HIF1A
SCHEMBL1352631 0.86 ADRB3 (0.54) ADRB3ADRB1LMNAADRB2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759540-A2 Beta-3 receptor ligands and their use in therapy Universita' Degli Studi di Bari (IT) 2014-07-30 EP disclosed
US-8354412-B2 Beta-3 receptor ligands and their use in therapy UNIVERSITA' DEGLI STUDI DI BARI (IT) 2013-01-15 US disclosed
US-20100075977-A1 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY UNVERSITA' DEGLI STUDI DI BARI (IT) 2010-03-25 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 (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-20100075977-A1 BETA-3 RECEPTOR LIGANDS AND THEIR USE IN THERAPY ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885LMNA 1156/4885

“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.