SCHEMBL4625692

SCHEMBL4625692

CC(CO)NCC(O)c1cccc(O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.64
HIF1A Q16665 4/20 0.64
ADRB1 P08588 3/20 0.64
ADRB3 P13945 3/20 0.64
TSHR P16473 2/20 0.64
ADRA1A P35348 2/20 0.64
SLC6A3 Q01959 2/20 0.64
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
NFKB1 P19838 1/20 0.64
DRD1 P21728 1/20 0.64
HTR7 P34969 1/20 0.64
ADRA1B P35368 1/20 0.64
DRD3 P35462 1/20 0.64
RAB9A P51151 1/20 0.64
LMNA P02545 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62

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
Metaterol SCHEMBL249460 0.85 HIF1A (0.70) ADRB2HIF1AADRB1ADRB3TSHR
SCHEMBL20819521 0.85 HIF1A (0.61) ADRB2HIF1AADRB1ADRB3TSHR
SCHEMBL31676604 0.85 HIF1A (0.61) ADRB2HIF1AADRB1ADRB3TSHR
SCHEMBL22362712 0.85 HIF1A (0.61) ADRB2HIF1AADRB1ADRB3TSHR
SCHEMBL31676571 0.85 HIF1A (0.61) ADRB2HIF1AADRB1ADRB3TSHR
SCHEMBL19329958 0.85 HIF1A (0.61) ADRB2HIF1AADRB1ADRB3TSHR
SCHEMBL20819520 0.85 HIF1A (0.61) ADRB2HIF1AADRB1ADRB3TSHR
SCHEMBL12186580 0.84 OPRK1 (0.57) ADRB2ADRB1ADRB3OPRK1
SCHEMBL12186578 0.84 OPRK1 (0.57) ADRB2ADRB1ADRB3OPRK1
SCHEMBL12186558 0.84 ADRB3 (0.71) ADRB2ADRB1ADRB3ADRA1AADRA1B

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-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 US claimed
US-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 US disclosed
EP-1896393-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-03-12 EP disclosed
WO-2007003896-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-01-11 WO 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-20080306162-A1 Treatment of Inflammatory Disorders and Pain HRH3, OPRL1, HRH2 ADRB2 131/4885HIF1A 1202/4885ADRB1 198/4885

“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.