SCHEMBL5174646

SCHEMBL5174646

O=C(CO)NC1CCN(CCc2ccc(OCCc3ccccc3)nc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.59
DRD4 P21917 2/20 0.47
LTA4H P09960 6/20 0.46
CXCR3 P49682 1/20 0.46
POLB P06746 1/20 0.45
KCNH2 Q12809 3/20 0.44
CD274 Q9NZQ7 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
SCHEMBL5174667 0.87 SIGMAR1 (0.65) SIGMAR1DRD4LTA4HCXCR3POLB
SCHEMBL5174319 0.82 SIGMAR1 (0.64) SIGMAR1DRD4LTA4HCXCR3POLB
SCHEMBL5174634 0.81 LTA4H (0.65) SIGMAR1LTA4HPOLB
SCHEMBL5175866 0.81 LTA4H (0.46) SIGMAR1LTA4HKCNH2
SCHEMBL5176090 0.79 POLB (0.67) SIGMAR1LTA4HPOLBKCNH2
SCHEMBL5175714 0.76 LTA4H (0.64) SIGMAR1DRD4LTA4HPOLB
SCHEMBL5173761 0.76 LTA4H (0.52) SIGMAR1LTA4H
SCHEMBL5174906 0.75 MCHR1 (0.61) SIGMAR1LTA4HPOLBKCNH2CD274
SCHEMBL5504017 0.75 SIGMAR1 (0.82) SIGMAR1DRD4CXCR3
SCHEMBL5175775 0.74 LTA4H (0.56) SIGMAR1LTA4HKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868605-A2 PHENYL AND PYRIDYL LTA4H MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-26 EP claimed
WO-2006105304-A2 PHENYL AND PYRIDYL LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO claimed
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US claimed
EP-1868605-A2 PHENYL AND PYRIDYL LTA4H MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-26 EP disclosed
WO-2006105304-A2 PHENYL AND PYRIDYL LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO disclosed
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 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-20060223792-A1 Phenyl and pyridyl LTA4H modulators LTA4H, LTB4R, LTC4S SIGMAR1 3624/4885DRD4 3772/4885LTA4H 1/4885

“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.