SCHEMBL4882170

SCHEMBL4882170

COc1cc(C(O)CNC(C)CO)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A3 O75751 1/20 0.77
TSHR P16473 5/20 0.68
CYP3A4 P08684 3/20 0.68
NFKB1 P19838 2/20 0.58
BLM P54132 3/20 0.57
PMP22 Q01453 2/20 0.57
ADRB2 P07550 6/20 0.52
ADRB1 P08588 5/20 0.52
MAPT P10636 3/20 0.52
ADRB3 P13945 3/20 0.52
MAPK1 P28482 3/20 0.52
DRD2 P14416 3/20 0.52
ADRA1A P35348 3/20 0.52
MTOR P42345 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
DRD3 P35462 2/20 0.52

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
Metiprenaline SCHEMBL3217916 0.87 SLC22A3 (1.00) SLC22A3TSHRCYP3A4NFKB1BLM
Metiprenaline SCHEMBL2109418 0.87 SLC22A3 (1.00) SLC22A3TSHRCYP3A4NFKB1BLM
Metiprenaline SCHEMBL3226665 0.87 SLC22A3 (1.00) SLC22A3TSHRCYP3A4NFKB1BLM
Metiprenaline SCHEMBL3220256 0.86 SLC22A3 (0.97) SLC22A3TSHRCYP3A4NFKB1BLM
Metiprenaline SCHEMBL3207430 0.86 SLC22A3 (0.97) SLC22A3TSHRCYP3A4NFKB1BLM
SCHEMBL4627060 0.86 SLC22A3 (0.58) SLC22A3TSHRCYP3A4NFKB1BLM
Metiprenaline SCHEMBL5319662 0.84 SLC22A3 (0.94) SLC22A3TSHRCYP3A4NFKB1BLM
SCHEMBL4626897 0.84 MAPT (0.73) SLC22A3TSHRCYP3A4NFKB1BLM
SCHEMBL31364250 0.82 TSHR (1.00) SLC22A3TSHRCYP3A4NFKB1BLM
SCHEMBL31254086 0.82 TSHR (1.00) SLC22A3TSHRCYP3A4NFKB1BLM

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 SLC22A3 777/4885TSHR 974/4885CYP3A4 2963/4885

“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.