SCHEMBL5494957

SCHEMBL5494957

N[C@@H](Cc1ccccc1)C(=O)NCCCCNc1ncccn1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
HDAC8 Q9BY41 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 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
SCHEMBL5492378 0.93 TPH1 (0.45) HPGD
SCHEMBL5500252 0.87 HPGD (0.40) HPGDHDAC8
SCHEMBL11254327 0.86 ALPI (0.59) HDAC8ALPIPKMPTGS1XIAP
SCHEMBL18375234 0.86 ALPI (0.59) HDAC8ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL2927527 0.85 ALPI (0.58) HDAC8ALPIPKMPTGS1XIAP
SCHEMBL16559587 0.85 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9113781 0.83 ALPI (0.59) HDAC8ALPIPKMPTGS1XIAP
SCHEMBL21010316 0.80 SLC15A1 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL24572013 0.80 MMP2 (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL987955 0.80 DPP7 (0.58) HPGD

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
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 US disclosed
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 US disclosed
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 HPGD 722/4885HDAC8 2587/4885ALPI 1382/4885

“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.