SCHEMBL5067295

SCHEMBL5067295

COc1ccc(-c2ccccc2C(=O)N(CCCOc2ccc(F)cc2)C2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRNB2 P17787 1/20 0.43

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
SCHEMBL5067299 0.97 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5068144 0.92 HCRTR1 (0.52) HCRTR1HCRTR2SLC6A4SMN1; SMN2KCNH2
SCHEMBL4777203 0.89 HCRTR1 (0.54) HCRTR1HCRTR2SLC6A4CHRNB2CHRNB4
SCHEMBL4777315 0.87 HCRTR1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5067298 0.84 HCRTR1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5070813 0.82 HCRTR1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4775769 0.81 KDM4E (0.44) HCRTR1HCRTR2SMN1; SMN2KDM4E
SCHEMBL4795670 0.81 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL4791855 0.81 HCRTR1 (0.42) HCRTR1HCRTR2KCNH2HRH3
SCHEMBL4771804 0.78 FFAR4 (0.46) HCRTR1HCRTR2SMN1; SMN2FFAR4KDM4E

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-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US 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 TUBB4A 4654/4885TUBB 4660/4885TUBA3C 4376/4885

“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.