SCHEMBL4775700

SCHEMBL4775700

O=C(c1ccccc1-n1cccc1)N(CCCOc1ccc(F)cc1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
HTR2A P28223 2/20 0.40
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR3 P51677 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
LTA4H P09960 1/20 0.37
LMNA P02545 1/20 0.37
NR1D1 P20393 1/20 0.37

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
SCHEMBL4773910 0.97 HCRTR1 (0.43) HCRTR1HCRTR2HTR2AKDM4ESMN1; SMN2
SCHEMBL4791797 0.87 HTR2A (0.44) HCRTR1HCRTR2HTR2ALTA4H
SCHEMBL4771878 0.86 HCRTR1 (0.44) HCRTR1HCRTR2HTR2A
SCHEMBL4795614 0.86 HCRTR1 (0.42) HCRTR1HCRTR2HTR2ACCR3
SCHEMBL4768141 0.83 HCRTR1 (0.44) HCRTR1HCRTR2HTR2A
SCHEMBL4791290 0.83 HCRTR2 (0.50) HCRTR1HCRTR2HTR2A
SCHEMBL4794646 0.81 HCRTR1 (0.52) HCRTR1HCRTR2KDM4ESMN1; SMN2LTA4H
SCHEMBL5068144 0.81 HCRTR1 (0.52) HCRTR1HCRTR2KDM4ESMN1; SMN2LTA4H
SCHEMBL4775769 0.81 KDM4E (0.44) HCRTR1HCRTR2HTR2AKDM4ESMN1; SMN2
SCHEMBL4771804 0.80 FFAR4 (0.46) HCRTR1HCRTR2HTR2AKDM4ESMN1; 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 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
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 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-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885HTR2A 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.