SCHEMBL4626574

SCHEMBL4626574

CC(C)(CO)NCC(O)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.49
ADRB2 P07550 7/20 0.49
CYP2D6 P10635 5/20 0.49
NFKB1 P19838 1/20 0.49
HIF1A Q16665 1/20 0.49
BLM P54132 1/20 0.48
ADRB3 P13945 5/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
CYP3A4 P08684 4/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
KCNH2 Q12809 4/20 0.37
VNN1 O95497 1/20 0.37

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
Flerobuterol SCHEMBL20819557 0.85 ADRB1 (0.66) ADRB1ADRB2CYP2D6NFKB1HIF1A
Flerobuterol SCHEMBL249507 0.85 ADRB1 (0.66) ADRB1ADRB2CYP2D6NFKB1HIF1A
Flerobuterol SCHEMBL30956705 0.85 ADRB1 (0.66) ADRB1ADRB2CYP2D6NFKB1HIF1A
Flerobuterol SCHEMBL29356232 0.85 ADRB1 (0.66) ADRB1ADRB2CYP2D6NFKB1HIF1A
Flerobuterol SCHEMBL10624514 0.84 BLM (0.67) ADRB1ADRB2CYP2D6NFKB1HIF1A
SCHEMBL4884062 0.81 ADRB1 (0.74) ADRB1ADRB2CYP2D6NFKB1HIF1A
SCHEMBL11136281 0.81 ADRB2 (0.53) ADRB1ADRB2CYP2D6NFKB1HIF1A
SCHEMBL11136288 0.81 ADRB2 (0.53) ADRB1ADRB2CYP2D6NFKB1HIF1A
Hydrochloric Acid SCHEMBL11134351 0.80 ADRB2 (0.54) ADRB1ADRB2BLM
Fepradinol SCHEMBL151235 0.77 KDM4E (0.55) ADRB1ADRB2ADRB3

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 131/4885CYP2D6 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.