SCHEMBL3597008

SCHEMBL3597008

CC(C)(C)OC(=O)CN1CCC[C@@H]1COc1ccc(-n2nc3ccccc3c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.42
CASP3 P42574 1/20 0.41
ESR2 Q92731 1/20 0.40
FAP Q12884 1/20 0.37
FAAH O00519 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3597010 1.00 LTA4H (0.42) LTA4HCASP3ESR2FAPFAAH
SCHEMBL3597998 0.91 LTA4H (0.44) LTA4HESR2FAAH
SCHEMBL3597992 0.91 LTA4H (0.44) LTA4HESR2FAAH
SCHEMBL9968590 0.88 LTA4H (0.56) LTA4HESR2FAAH
SCHEMBL5069931 0.88 LTA4H (0.56) LTA4HESR2FAAH
Hydrochloric Acid SCHEMBL3597192 0.87 LTA4H (0.55) LTA4HESR2FAAH
Hydrochloric Acid SCHEMBL3597194 0.87 LTA4H (0.55) LTA4HESR2FAAH
Hydrochloric Acid SCHEMBL3598149 0.87 LTA4H (0.55) LTA4HESR2FAAH
SCHEMBL3589105 0.84 LTA4H (0.48) LTA4HESR2FAAH
SCHEMBL3589106 0.84 LTA4H (0.48) LTA4HESR2FAAH

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-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 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-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885CASP3 1164/4885ESR2 1449/4885

“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.