SCHEMBL1714913

SCHEMBL1714913

CC(C(=O)c1ccccc1)N1CCN(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.50
▸ SLC6A3 Q01959 7/20 0.50
▸ CHRNB4 P30926 6/20 0.50
▸ CHRNA3 P32297 6/20 0.50
▸ CHRNB2 P17787 5/20 0.50
▸ CHRNA4 P43681 5/20 0.50
▸ CHRNA1 P02708 4/20 0.50
▸ CHRNG P07510 4/20 0.50
▸ CHRNB1 P11230 4/20 0.50
▸ CHRND Q07001 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAOB P27338 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL28360223 0.84 SLC6A2 (0.67) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL11037118 0.84 SLC6A2 (0.67) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL4818799 0.83 CYP2D6 (0.67) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL1072701 0.83 SLC6A2 (0.69) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL22614730 0.83 SLC6A2 (0.65) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL28057449 0.83 SLC6A2 (0.65) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL4874415 0.82 CES2 (0.50) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL10728832 0.81 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Bromide SCHEMBL13729160 0.81 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL321368 0.80 ALDH1A1 (0.67) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 — — US disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 — — EP disclosed
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 — — US disclosed
EP-1817282-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-08-15 — — EP disclosed
WO-2006056752-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-06-01 — — 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-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH SLC6A2 422/4885SLC6A3 779/4885CHRNB4 1788/4885

“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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