SCHEMBL3978861

SCHEMBL3978861

CC(=O)O[C@@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.56
▸ ADRB1 P08588 15/20 0.56
▸ ADRB3 P13945 15/20 0.56
▸ MLNR O43193 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ MC3R P41968 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ SCN5A Q14524 1/20 0.52
▸ GHSR Q92847 1/20 0.52
▸ SLC2A1 P11166 1/20 0.42

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
Acetic Acid SCHEMBL3978858 0.87 ADRB2 (0.70) ADRB2ADRB1ADRB3MLNRNR1I2
SCHEMBL3982300 0.84 ADRB2 (0.67) ADRB2ADRB1ADRB3MLNRNR1I2
SCHEMBL28471346 0.74 ADRB2 (0.49) ADRB2ADRB1ADRB3MLNRNR1I2
SCHEMBL21587437 0.73 ADRB2 (0.69) ADRB2ADRB1ADRB3MLNRNR1I2
SCHEMBL925232 0.73 ADRB2 (0.77) ADRB2ADRB1ADRB3MLNRNR1I2
SCHEMBL925231 0.73 ADRB2 (0.77) ADRB2ADRB1ADRB3MLNRNR1I2
SCHEMBL3889231 0.73 ADRB2 (0.77) ADRB2ADRB1ADRB3MLNRNR1I2
SCHEMBL17031689 0.73 ADRB2 (0.67) ADRB2ADRB1ADRB3MLNRNR1I2
Vilanterol SCHEMBL925229 0.72 ADRB2 (1.00) ADRB2ADRB1ADRB3MLNRNR1I2
Vilanterol SCHEMBL29448201 0.72 ADRB2 (1.00) ADRB2ADRB1ADRB3MLNRNR1I2

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-7538127-B2 Medicinal compounds GLAXO GROUP LIMITED (GB) 2009-05-26 — — US disclosed
US-20060148771-A1 Medicinal compounds GLAXO GROUP LIMITED (GB) 2006-07-06 — — 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-20060148771-A1 Medicinal compounds AVPR1B, AVPR2, CYP11B1 ADRB2 98/4885ADRB1 16/4885ADRB3 28/4885

“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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