SCHEMBL4627952

SCHEMBL4627952

CCC(NC(C)CO)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 7/20 0.76
▸ PTGS2 P35354 2/20 0.76
▸ OPRK1 P41145 1/20 0.76
▸ SLC6A3 Q01959 1/20 0.76
▸ KDM4E B2RXH2 10/20 0.67
▸ MAPT P10636 8/20 0.67
▸ HIF1A Q16665 5/20 0.67
▸ MAPK1 P28482 5/20 0.67
▸ TSHR P16473 5/20 0.67
▸ HSD17B10 Q99714 5/20 0.67
▸ LMNA P02545 4/20 0.67
▸ NFKB1 P19838 3/20 0.67
▸ BLM P54132 3/20 0.67
▸ CYP1A2 P05177 3/20 0.67
▸ CYP3A4 P08684 3/20 0.67
▸ THPO P40225 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ GAA P10253 2/20 0.67
▸ RXFP1 Q9HBX9 2/20 0.67
▸ CYP2D6 P10635 2/20 0.67

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
Isoetharine SCHEMBL56515 0.86 ADRB2 (1.00) ADRB2PTGS2OPRK1SLC6A3KDM4E
Isoetharine SCHEMBL29515330 0.86 ADRB2 (1.00) ADRB2PTGS2OPRK1SLC6A3KDM4E
Isoetharine SCHEMBL21252711 0.86 ADRB2 (1.00) ADRB2PTGS2OPRK1SLC6A3KDM4E
Isoetharine SCHEMBL56516 0.86 ADRB2 (1.00) ADRB2PTGS2OPRK1SLC6A3KDM4E
Isoetharine SCHEMBL3218412 0.86 ADRB2 (1.00) ADRB2PTGS2OPRK1SLC6A3KDM4E
Isoetharine SCHEMBL3225540 0.86 ADRB2 (1.00) ADRB2PTGS2OPRK1SLC6A3KDM4E
Isoetharine SCHEMBL211343 0.85 ADRB2 (0.97) ADRB2PTGS2OPRK1SLC6A3KDM4E
SCHEMBL4627060 0.83 SLC22A3 (0.58) ADRB2PTGS2OPRK1SLC6A3KDM4E
SCHEMBL10364448 0.80 ADRB2 (0.77) ADRB2PTGS2OPRK1SLC6A3KDM4E
Isoetharine SCHEMBL29380912 0.80 KDM4E (1.00) ADRB2PTGS2OPRK1SLC6A3KDM4E

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 131/4885PTGS2 237/4885OPRK1 10/4885

“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.

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