SCHEMBL4773882

SCHEMBL4773882

O=C(c1ccccc1-c1ccccc1)N(CCCOc1ccc(F)cc1)CC1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.52
HCRTR2 O43614 3/20 0.52
LPAR1 Q92633 3/20 0.41
LPAR5 Q9H1C0 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
LTA4H P09960 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4795516 0.86 HCRTR1 (0.61) HCRTR1HCRTR2LPAR1KDM4ESMN1; SMN2
SCHEMBL5068144 0.84 HCRTR1 (0.52) HCRTR1HCRTR2KDM4ESMN1; SMN2FFAR4
SCHEMBL4777203 0.83 HCRTR1 (0.54) HCRTR1HCRTR2KDM4ESMN1; SMN2FFAR4
SCHEMBL4792313 0.81 ALDH1A1 (0.52) HCRTR1HCRTR2KDM4ESMN1; SMN2LTA4H
SCHEMBL3649758 0.80 SLC6A4 (0.43) HCRTR1HCRTR2LPAR1LPAR5SMN1; SMN2
SCHEMBL5070813 0.79 HCRTR1 (0.53) HCRTR1HCRTR2LPAR1SCN1ASCN2A
SCHEMBL4792563 0.78 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL4777315 0.77 HCRTR1 (0.46) HCRTR1HCRTR2KDM4ESMN1; SMN2FFAR4
SCHEMBL14050513 0.76 HCRTR1 (0.51) HCRTR1HCRTR2LPAR1KDM4ESMN1; SMN2
SCHEMBL5067295 0.76 TUBB4A (0.47) HCRTR1HCRTR2LPAR1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US claimed
EP-1871752-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-01-02 EP claimed
WO-2006110626-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-10-19 WO claimed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
WO-2006110626-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-10-19 WO 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-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885LPAR1 84/4885

“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.