SCHEMBL6479944

SCHEMBL6479944

N[C@H](CO)Cc1ccc(Oc2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.44
PCNA P12004 1/20 0.44
LIG1 P18858 1/20 0.44
PTGS2 P35354 1/20 0.44
SCN9A Q15858 4/20 0.42
P2RX3 P56373 3/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
ADAMTS4 O75173 1/20 0.40
GRM2 Q14416 1/20 0.39
LOX P28300 1/20 0.39
EPHX1 P07099 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL6479951 1.00 LTA4H (0.44) LTA4HPCNALIG1PTGS2SCN9A
Hydrochloric Acid SCHEMBL6479245 0.82 MEN1 (0.50) LTA4HPCNALIG1SCN9AP2RX3
Hydrochloric Acid SCHEMBL6479238 0.82 MEN1 (0.50) LTA4HPCNALIG1SCN9AP2RX3
SCHEMBL561974 0.82 SLC7A5 (0.55) PCNAPTGS2ADAMTS4
SCHEMBL561976 0.82 SLC7A5 (0.55) PCNAPTGS2ADAMTS4
SCHEMBL3543339 0.81 LTA4H (0.58) LTA4HPTGS2P2RX3LOXL2ADAMTS4
SCHEMBL5018913 0.80 LTA4H (0.47) LTA4HPTGS2P2RX3LOXL2ADAMTS4
Hydrochloric Acid SCHEMBL6486762 0.80 KDM4E (0.48) LTA4HPCNALIG1PTGS2SCN9A
Hydrochloric Acid SCHEMBL6486766 0.80 KDM4E (0.48) LTA4HPCNALIG1PTGS2SCN9A
SCHEMBL12379282 0.79 LTA4H (0.60) LTA4HPCNALIG1SCN9AEPHX1

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-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 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 (2 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 LTA4H 2227/4885PCNA 2982/4885LIG1 2189/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 LTA4H 1768/4885PCNA 3048/4885LIG1 2859/4885

“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.