SCHEMBL5067299

SCHEMBL5067299

COc1ccc(-c2ccccc2C(=O)N(CCCOc2ccc(F)cc2)C2CCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
HCRTR1 O43613 3/20 0.46
HCRTR2 O43614 2/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44

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
SCHEMBL5067295 0.97 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4777203 0.92 HCRTR1 (0.54) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL5068144 0.89 HCRTR1 (0.52) HCRTR1HCRTR2SLC6A4KCNH2SMN1; SMN2
SCHEMBL5067298 0.87 HCRTR1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4795670 0.84 HCRTR1 (0.43) HCRTR1HCRTR2HTR2A
SCHEMBL4777315 0.84 HCRTR1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4791855 0.84 HCRTR1 (0.42) HCRTR1HCRTR2KCNH2HRH3SLC6A9
SCHEMBL5070813 0.82 HCRTR1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4771763 0.82 KDM4E (0.44) HCRTR1HCRTR2SLC6A9HTR2ATRPM8
SCHEMBL4777235 0.81 HCRTR1 (0.44) HCRTR1HCRTR2MAPTSLC6A9HTR2A

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 5 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
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 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.