SCHEMBL5495637

SCHEMBL5495637

CN(C)CCCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CC(C)(C)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.49
KIFC1 Q9BW19 4/20 0.47
TACR2 P21452 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
AVPR1B P47901 1/20 0.46
CHRNA1 P02708 2/20 0.45
CHRNG P07510 2/20 0.45
CHRNB1 P11230 2/20 0.45
CHRND Q07001 2/20 0.45
GRIA1 P42261 1/20 0.45
FOLH1 Q04609 1/20 0.45

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
SCHEMBL5496941 0.82 CHRNB2 (0.46) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5492131 0.82 CHRNB2 (0.46) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5494652 0.80 TACR2 (0.53) AVPR1AKIFC1TACR2L3MBTL1AVPR1B
SCHEMBL5491140 0.79 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4CTSS
SCHEMBL5494078 0.79 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4CTSS
SCHEMBL5491193 0.79 TACR2 (0.55) AVPR1AKIFC1TACR2L3MBTL1AVPR1B
SCHEMBL6407898 0.78 F7 (0.55) CTSS
SCHEMBL5495303 0.77 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4CTSS
SCHEMBL5494080 0.74 TACR2 (0.55) AVPR1ATACR2CHRNB2CHRNB4CHRNA3
SCHEMBL6575335 0.73 PTPN1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753782-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 US disclosed
WO-2005123770-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2005-12-29 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 AVPR1A 2997/4885KIFC1 2520/4885TACR2 2185/4885

“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.