SCHEMBL4880117

SCHEMBL4880117

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.61
ADRB1 P08588 6/20 0.61
MAPT P10636 5/20 0.61
TDP1 Q9NUW8 5/20 0.61
KDM4E B2RXH2 4/20 0.61
TSHR P16473 4/20 0.61
ADRB3 P13945 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CYP1A2 P05177 3/20 0.61
HIF1A Q16665 3/20 0.61
MTOR P42345 3/20 0.61
MAPK1 P28482 3/20 0.61
HSD17B10 Q99714 3/20 0.61
CYP2D6 P10635 2/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
DRD2 P14416 2/20 0.61
ADRA1D P25100 2/20 0.61

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
SCHEMBL4627149 0.87 ADRB2 (0.79) ADRB2ADRB1TDP1TSHRCYP1A2
SCHEMBL4627996 0.86 ADRB2 (0.54) ADRB2ADRB1MAPTTDP1KDM4E
Colterol SCHEMBL3207818 0.85 ADRB2 (0.72) ADRB2ADRB1MAPTTDP1KDM4E
Colterol SCHEMBL249585 0.85 ADRB2 (0.72) ADRB2ADRB1MAPTTDP1KDM4E
Colterol SCHEMBL3220142 0.85 ADRB2 (0.72) ADRB2ADRB1MAPTTDP1KDM4E
SCHEMBL4884008 0.83 ADRB3 (0.59) ADRB2ADRB1TDP1TSHRADRB3
Colterol SCHEMBL10604477 0.79 ADRB2 (0.63) ADRB2ADRB1MAPTTDP1KDM4E
Colterol SCHEMBL636005 0.79 PMP22 (0.71) ADRB2ADRB1MAPTTDP1KDM4E
SCHEMBL4627979 0.79 ADRB2 (0.72) ADRB2ADRB1KDM4ETSHRADRB3
SCHEMBL5337715 0.78 ADRB2 (0.62) ADRB2ADRB1MAPTTDP1KDM4E

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 2 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

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 198/4885MAPT 4250/4885

“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.