SCHEMBL2440293

SCHEMBL2440293

CC(NCCc1ccc(OCC(=O)O)cc1)C(O)c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.70
ADRB2 P07550 2/20 0.70
LMNA P02545 2/20 0.70
HIF1A Q16665 2/20 0.70
SLC6A2 P23975 2/20 0.70
SLC6A4 P31645 2/20 0.70
OPRM1 P35372 2/20 0.70
ADRB1 P08588 2/20 0.70
CYP2D6 P10635 1/20 0.70
GALR3 O60755 1/20 0.70
ADRA1A P35348 1/20 0.70
OPRK1 P41145 1/20 0.70
SLC6A3 Q01959 1/20 0.70
TMEM97 Q5BJF2 1/20 0.68
SIGMAR1 Q99720 1/20 0.68

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
SCHEMBL6373611 1.00 ADRB3 (0.70) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL2495187 1.00 ADRB3 (0.70) ADRB3ADRB2LMNAHIF1ASLC6A2
Water SCHEMBL8025132 0.99 ADRB3 (0.69) ADRB3ADRB2LMNAHIF1ASLC6A2
Water SCHEMBL8025128 0.99 ADRB3 (0.69) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL7724401 0.87 ADRB3 (0.72) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL7724409 0.87 ADRB3 (0.72) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL7728737 0.86 ADRB2 (0.60) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL7728744 0.86 ADRB2 (0.60) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL2442129 0.86 ADRB2 (0.62) ADRB3ADRB2LMNAHIF1ASLC6A2
Hydrochloric Acid SCHEMBL7723671 0.85 ADRB3 (0.61) ADRB3ADRB2LMNAHIF1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002791-B1 AMINOETHYLPHENOXYACETIC ACID DERIVATIVES AND DRUGS FOR PAIN REMISSION AND CALCULI REMOVAL PROMOTION IN URINARY LITHIASIS KISSEI PHARMACEUTICAL (JP) 2004-10-20 EP claimed
EP-1657235-B1 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates RANDOX LAB LTD (GB) 2011-09-21 EP disclosed
EP-1657235-B1 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates RANDOX LAB LTD (GB) 2011-09-21 EP disclosed
US-7192722-B2 Phenethanolamine-derived haptens, immunogens, antibodies and conjugates RANDOX LABORATORIES (GB) 2007-03-20 US disclosed
US-7192722-B2 Phenethanolamine-derived haptens, immunogens, antibodies and conjugates RANDOX LABORATORIES (GB) 2007-03-20 US disclosed
US-20060223132-A1 uses in competitive immunoassays for the detection of ractopamine, isoxsuprine and ritodrine RANDOX LABORATORIES LIMITED (GB) 2006-10-05 US disclosed
EP-1657235-A2 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates Randox Laboratories Ltd. (GB) 2006-05-17 EP 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-20060223132-A1 uses in competitive immunoassays for the detection of ractopamine, isoxsuprine and ritodrine HRH3, HRH4, HRH1 ADRB3 66/4885ADRB2 14/4885LMNA 4334/4885

“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.