SCHEMBL6610063

SCHEMBL6610063

c1ccc(OCCC2CCCN2)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.57
SLC6A2 P23975 1/20 0.50
HRH2 P25021 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL4965391 0.95 LTA4H (0.64) LTA4HSLC6A2HRH2HTR2AHTR2B
SCHEMBL7335832 0.90 LTA4H (0.74) LTA4H
Hydrochloric Acid SCHEMBL7334091 0.88 LTA4H (0.72) LTA4H
SCHEMBL6611442 0.87 LTA4H (0.62) LTA4H
SCHEMBL8476007 0.85 LTA4H (0.55) LTA4H
SCHEMBL8590818 0.84 LTA4H (0.47) LTA4HHRH2
SCHEMBL7326422 0.84 LTA4H (0.76) LTA4H
SCHEMBL13809106 0.84 LTA4H (0.76) LTA4H
SCHEMBL7327575 0.84 LTA4H (0.60) LTA4HHTR2B
SCHEMBL11447699 0.84 LTA4H (0.61) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192673-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2004-09-30 US disclosed
EP-1435955-A2 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SmithKline Beecham P.L.C. (GB) 2004-07-14 EP disclosed
WO-2002089800-A2 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO disclosed
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 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-20040192673-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R LTA4H 1671/4885SLC6A2 196/4885HRH2 28/4885

“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.