SCHEMBL4135394

SCHEMBL4135394

C[C@H](COCCN1CCC(CO)CC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SIGMAR1 Q99720 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL4135403 1.00 LTA4H (0.51) LTA4HSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL27755643 0.83 BCHE (0.44) SLC6A2SLC6A3SIGMAR1HRH3
SCHEMBL4048093 0.81 SIGMAR1 (0.42) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL4048099 0.81 SIGMAR1 (0.42) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL4130475 0.80 ALDH1A1 (0.55)
SCHEMBL4130478 0.80 ALDH1A1 (0.55)
SCHEMBL27735104 0.77 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3HRH3
Hydrochloric Acid SCHEMBL25377090 0.76 LTA4H (0.62) LTA4HSIGMAR1HRH3
SCHEMBL3888376 0.76 HRH3 (0.63) LTA4HSIGMAR1HRH3
SCHEMBL27735105 0.76 CYP3A4 (0.36) SLC6A2SLC6A4SLC6A3SIGMAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LTA4H 470/4885SLC6A2 941/4885SLC6A4 3330/4885

“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.