SCHEMBL4400381

SCHEMBL4400381

CC(CO)NC(C)C(=O)c1cc(Cl)c(N)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.47
ADRB1 P08588 1/20 0.47
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
BRAF P15056 2/20 0.34
HDAC1 Q13547 2/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
HDAC3 O15379 1/20 0.33
RAF1 P04049 1/20 0.33
ARAF P10398 1/20 0.33

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
Hydrochloric Acid SCHEMBL11644240 0.72 ADRB2 (0.45) ADRB2ADRB1
SCHEMBL5166345 0.72 NPFFR2 (0.44) ADRB2ADRB1BRAFHDAC1HDAC3
SCHEMBL31749059 0.72 NPFFR2 (0.44) ADRB2ADRB1BRAFHDAC1HDAC3
SCHEMBL10469316 0.72 SLC6A3 (0.44) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11630141 0.72 ADRB2 (0.48) ADRB2ADRB1
SCHEMBL15358059 0.72 NOTUM (0.49) ADRB2ADRB1
Hydrochloric Acid SCHEMBL10390724 0.71 SLC6A2 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2958907 0.71 SLC6A3 (0.57) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2958909 0.71 SLC6A3 (0.57) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2958906 0.71 SLC6A3 (0.57) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2012-08-30 US disclosed
US-8188150-B2 Use of beta-aminoalcohols in the treatment of inflammatory disorders and pain BIOCOPEA LIMITED (GB) 2012-05-29 US disclosed
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2009-12-10 US disclosed
EP-1993525-A1 THE USE OF BETA-AMINOALCOHOLS IN THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-11-26 EP disclosed
WO-2007102008-A1 THE USE OF BETA-AMINOALCOHOLS IN THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-09-13 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 (2 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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, HRH2 ADRB2 19/4885ADRB1 36/4885CHRNA1 567/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 ADRB2 7/4885ADRB1 13/4885CHRNA1 128/4885

“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.