SCHEMBL5491032

SCHEMBL5491032

O=C(O)CCCC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCCCNc1ncccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
PTPN1 P18031 2/20 0.49
MME P08473 3/20 0.49
ACE P12821 3/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
GRIA1 P42261 1/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRND Q07001 1/20 0.46

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
SCHEMBL5495776 1.00 FOLH1 (0.50) FOLH1PTPN1MMEACECHRNB2
SCHEMBL5492379 0.95 PTPN1 (0.52) FOLH1PTPN1MMEACECHRNB2
SCHEMBL5496771 0.95 PTPN1 (0.52) FOLH1PTPN1MMEACECHRNB2
SCHEMBL5498667 0.95 CHRNB2 (0.53) FOLH1PTPN1CHRNB2CHRNB4CHRNA3
SCHEMBL5488901 0.86 CHRNB2 (0.46) FOLH1PTPN1MMECHRNB2CHRNB4
SCHEMBL5499120 0.86 CHRNB2 (0.46) FOLH1PTPN1MMECHRNB2CHRNB4
SCHEMBL14598274 0.86 FOLH1 (0.44) FOLH1PTPN1CHRNB2CHRNB4CHRNA3
SCHEMBL5496941 0.85 CHRNB2 (0.46) FOLH1PTPN1CHRNB2CHRNB4CHRNA3
SCHEMBL5492131 0.85 CHRNB2 (0.46) FOLH1PTPN1CHRNB2CHRNB4CHRNA3
SCHEMBL14598248 0.83 FOLH1 (0.48) FOLH1PTPN1MMEACECHRNB2

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 FOLH1 1672/4885PTPN1 4278/4885MME 2615/4885

“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.