SCHEMBL5491193

SCHEMBL5491193

CN(C)CCCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CC1(CC(=O)O)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.55
AVPR1A P37288 1/20 0.52
KIFC1 Q9BW19 1/20 0.43
FOLH1 Q04609 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MMP1 P03956 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
AVPR1B P47901 1/20 0.42

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
SCHEMBL5494652 0.99 TACR2 (0.53) TACR2AVPR1AKIFC1FOLH1ALDH1A1
SCHEMBL5492268 0.95 TACR2 (0.57) TACR2AVPR1AALDH1A1MMP1AVPR1B
SCHEMBL5494080 0.94 TACR2 (0.55) TACR2AVPR1AMMP1AVPR1B
SCHEMBL5494526 0.83 GAA (0.46) TACR2FOLH1ALDH1A1MAPTMMP1
SCHEMBL5492106 0.83 GAA (0.46) TACR2FOLH1ALDH1A1MAPTMMP1
SCHEMBL5496976 0.83 TACR2 (0.54) TACR2
SCHEMBL5491007 0.82 GAA (0.45) TACR2FOLH1ALDH1A1MAPT
SCHEMBL5494642 0.82 GAA (0.45) TACR2FOLH1ALDH1A1MAPT
SCHEMBL5493574 0.80 CHRNA1 (0.47) TACR2ALDH1A1MMP1
SCHEMBL6409719 0.80 F7 (0.51) TACR2ALDH1A1MAPTMMP1

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 TACR2 2185/4885AVPR1A 2997/4885KIFC1 2520/4885

“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.