SCHEMBL4134940

SCHEMBL4134940

O=C(O)[C@H]1CCCN(CCOCCc2ccccc2)C1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 3/20 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
SCHEMBL27735094 1.00 SLC6A1 (0.67) SLC6A1
SCHEMBL8873337 0.94 SLC6A1 (0.65) SLC6A1
Hydrochloric Acid SCHEMBL8871870 0.93 SLC6A1 (0.64) SLC6A1
SCHEMBL8872620 0.89 SLC6A1 (0.60) SLC6A1
SCHEMBL8872632 0.89 SLC6A1 (0.60) SLC6A1
SCHEMBL27735052 0.88 LTA4H (0.59)
Hydrochloric Acid SCHEMBL8872081 0.88
Hydrochloric Acid SCHEMBL8872094 0.88
SCHEMBL28747604 0.86 KDM4E (0.70)
SCHEMBL7925377 0.84 SLC6A1 (0.65) SLC6A1

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
CN-101395150-A Phenethanolamine derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-03-25 CN disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A SLC6A1 3908/4885

“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.