SCHEMBL4795614

SCHEMBL4795614

O=C(c1ccccc1-n1ccnc1)N(CCCOc1ccc(F)cc1)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.42
CCR3 P51677 1/20 0.42
HTR2A P28223 2/20 0.42
HCRTR2 O43614 4/20 0.41
CYP2D6 P10635 6/20 0.41
CYP2C9 P11712 6/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2C19 P33261 5/20 0.41
CYP3A4 P08684 4/20 0.41
SLC6A9 P48067 1/20 0.40
MGLL Q99685 1/20 0.37
CYP19A1 P11511 1/20 0.36
PDE6D O43924 1/20 0.36

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
SCHEMBL4791797 0.89 HTR2A (0.44) HCRTR1HTR2AHCRTR2SLC6A9PDE6D
SCHEMBL4773910 0.89 HCRTR1 (0.43) HCRTR1CCR3HTR2AHCRTR2SLC6A9
SCHEMBL4775700 0.86 HCRTR1 (0.42) HCRTR1CCR3HTR2AHCRTR2
SCHEMBL4768141 0.85 HCRTR1 (0.44) HCRTR1HTR2AHCRTR2
SCHEMBL4791290 0.85 HCRTR2 (0.50) HCRTR1HTR2AHCRTR2
SCHEMBL4771878 0.82 HCRTR1 (0.44) HCRTR1HTR2AHCRTR2
SCHEMBL4777235 0.78 HCRTR1 (0.44) HCRTR1HTR2AHCRTR2SLC6A9
SCHEMBL4771763 0.77 KDM4E (0.44) HCRTR1HTR2AHCRTR2SLC6A9
SCHEMBL4777203 0.77 HCRTR1 (0.54) HCRTR1HTR2AHCRTR2
SCHEMBL4775758 0.76 FFAR4 (0.45) HCRTR1HTR2AHCRTR2CYP2D6SLC6A9

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
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
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 2/4885CCR3 641/4885HTR2A 63/4885

“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.