SCHEMBL4627723

SCHEMBL4627723

CC(C)(CO)NCC(O)c1ccc(O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.49
ADRB2 P07550 9/20 0.49
HIF1A Q16665 2/20 0.49
CYP2D6 P10635 1/20 0.49
NFKB1 P19838 1/20 0.49
BLM P54132 1/20 0.48
ESR1 P03372 1/20 0.42
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38

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
Meluadrine SCHEMBL120043 0.87 ADRB2 (0.65) ADRB1ADRB2HIF1ACYP2D6NFKB1
Meluadrine SCHEMBL29508537 0.87 ADRB2 (0.65) ADRB1ADRB2HIF1ACYP2D6NFKB1
Meluadrine SCHEMBL250026 0.87 ADRB2 (0.65) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL4884062 0.81 ADRB1 (0.74) ADRB1ADRB2HIF1ACYP2D6NFKB1
Meluadrine SCHEMBL7317575 0.81 ADRB2 (0.57) ADRB1ADRB2HIF1ACYP2D6NFKB1
Meluadrine SCHEMBL30591457 0.79 ADRB2 (0.55) ADRB1ADRB2HIF1ACYP2D6NFKB1
Meluadrine SCHEMBL123344 0.79 ADRB2 (0.55) ADRB1ADRB2HIF1ACYP2D6NFKB1
Meluadrine SCHEMBL1650082 0.79 ADRB2 (0.55) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL7309792 0.75 ADRB2 (0.65) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL250596 0.75 ESR1 (0.46) ADRB1ADRB2HIF1ACYP2D6NFKB1

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 ADRB1 198/4885ADRB2 131/4885HIF1A 1202/4885

“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.