SCHEMBL4884062

SCHEMBL4884062

CC(C)(CO)NCC(O)c1ccccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.74
ADRB2 P07550 5/20 0.74
CYP2D6 P10635 1/20 0.74
NFKB1 P19838 1/20 0.74
HIF1A Q16665 1/20 0.74
BLM P54132 1/20 0.72
AOC3 Q16853 1/20 0.46
CASR P41180 2/20 0.42
ADRB3 P13945 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
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 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
SCHEMBL11747685 0.89 ADRB1 (0.77) ADRB1ADRB2CYP2D6NFKB1HIF1A
Tulobuterol SCHEMBL29866527 0.85 ADRB2 (1.00) ADRB1ADRB2CYP2D6NFKB1HIF1A
Tulobuterol SCHEMBL22970444 0.85 ADRB2 (1.00) ADRB1ADRB2CYP2D6NFKB1HIF1A
Tulobuterol SCHEMBL30986127 0.85 ADRB2 (1.00) ADRB1ADRB2CYP2D6NFKB1HIF1A
Tulobuterol SCHEMBL122692 0.85 ADRB2 (1.00) ADRB1ADRB2CYP2D6NFKB1HIF1A
Tulobuterol SCHEMBL28319125 0.84 ADRB2 (0.91) ADRB1ADRB2CYP2D6NFKB1HIF1A
Tulobuterol SCHEMBL123786 0.84 BLM (1.00) ADRB1ADRB2CYP2D6NFKB1HIF1A
Tulobuterol SCHEMBL31356434 0.84 BLM (1.00) ADRB1ADRB2CYP2D6NFKB1HIF1A
SCHEMBL4626574 0.81 ADRB1 (0.49) ADRB1ADRB2CYP2D6NFKB1HIF1A
SCHEMBL4626380 0.81 ADRB2 (0.50) ADRB1ADRB2CYP2D6NFKB1HIF1A

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 1 patent. 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 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 131/4885CYP2D6 2783/4885

“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.