SCHEMBL5176355

SCHEMBL5176355

NC(=O)C1CCN(Cc2ccc(OCCCc3ccccc3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
HRH3 Q9Y5N1 2/20 0.69
LTA4H P09960 3/20 0.68
S1PR5 Q9H228 2/20 0.58
S1PR1 P21453 2/20 0.58
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FAAH O00519 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL5175861 0.94 NPC1 (0.75) NPC1RAB9AHRH3LTA4HS1PR5
SCHEMBL5173905 0.91 S1PR5 (0.71) NPC1RAB9AHRH3LTA4HS1PR5
SCHEMBL5175580 0.87 S1PR5 (0.61) NPC1RAB9AHRH3LTA4HS1PR5
SCHEMBL451789 0.86 NPC1 (0.59) NPC1RAB9AHRH3LTA4HS1PR5
SCHEMBL5174917 0.85 LTA4H (0.70) NPC1RAB9AHRH3LTA4HFAAH
SCHEMBL5175617 0.85 LTA4H (0.77) NPC1RAB9AHRH3LTA4HS1PR1
SCHEMBL5173797 0.84 HRH3 (0.71) NPC1RAB9AHRH3LTA4HS1PR5
SCHEMBL5175763 0.84 S1PR5 (0.69) NPC1RAB9AHRH3LTA4HS1PR5
SCHEMBL5175612 0.84 RAB9A (0.74) NPC1RAB9AHRH3LTA4HS1PR1
SCHEMBL5176478 0.84 DRD2 (0.60) NPC1RAB9AHRH3LTA4HS1PR1

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 NPC1 1667/4885RAB9A 4254/4885HRH3 159/4885

“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.