SCHEMBL4628378

SCHEMBL4628378

CC(CO)NCC(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.49
ADRB1 P08588 5/20 0.49
ADRB3 P13945 4/20 0.49
SLC2A1 P11166 2/20 0.48
CYP3A4 P08684 4/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 3/20 0.46
MTOR P42345 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46

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
Dichloroisoproterenol SCHEMBL29139831 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP3A4MAPT
Dichloroisoproterenol SCHEMBL613952 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP3A4MAPT
SCHEMBL12186441 0.82 ADRB3 (0.49) ADRB2ADRB1ADRB3SLC2A1CYP3A4
SCHEMBL12186453 0.82 ADRB3 (0.49) ADRB2ADRB1ADRB3SLC2A1CYP3A4
SCHEMBL7152586 0.81 ADRB2 (0.65) ADRB2ADRB1ADRB3SLC2A1CYP3A4
SCHEMBL7152589 0.81 ADRB2 (0.65) ADRB2ADRB1ADRB3SLC2A1CYP3A4
SCHEMBL12186558 0.81 ADRB3 (0.71) ADRB2ADRB1ADRB3SLC2A1ADRA1D
SCHEMBL12186563 0.81 ADRB3 (0.71) ADRB2ADRB1ADRB3SLC2A1ADRA1D
SCHEMBL7145432 0.80 ADRB2 (0.50) ADRB2ADRB1ADRB3SLC2A1
SCHEMBL7145431 0.80 ADRB2 (0.50) ADRB2ADRB1ADRB3SLC2A1

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 131/4885ADRB1 198/4885ADRB3 95/4885

“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.