SCHEMBL5125544

SCHEMBL5125544

NC(Cc1ccc2ccccc2c1)C(=O)NCCCNC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 1/20 0.50
DPP4 P27487 1/20 0.48
MC4R P32245 3/20 0.47
MC3R P41968 3/20 0.47
MC5R P33032 2/20 0.47
OPRD1 P41143 1/20 0.47
MC1R Q01726 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
SCHEMBL5125551 1.00 NLN (0.50) NLNDPP4MC4RMC3RMC5R
SCHEMBL5558741 0.86 CA12 (0.52) NLNDPP4MC4RMC3RMC5R
SCHEMBL17337848 0.85 ALPI (0.54)
SCHEMBL1769595 0.85 NLN (0.50) NLNDPP4OPRD1
SCHEMBL12520303 0.85 NLN (0.50) NLNDPP4OPRD1
SCHEMBL1769590 0.85 NLN (0.50) NLNDPP4OPRD1
SCHEMBL4634385 0.84 NLN (0.49) NLNDPP4MC4RMC3RMC5R
SCHEMBL30104067 0.83 OPRD1 (0.54) NLNDPP4MC4RMC3RMC5R
SCHEMBL5556817 0.83 NLN (0.62) NLNDPP4MC4RMC3RMC5R
SCHEMBL6020723 0.81 NLN (0.52) NLNDPP4OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
US-7279573-B2 Amide derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 US disclosed
US-20060142264-A1 Novel amide derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2006-06-29 US disclosed
US-7064121-B2 N-acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2006-06-20 US disclosed
US-20050059699-A1 N-acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-17 US disclosed
US-6864250-B1 N-acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-08 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 (3 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-20060142264-A1 Novel amide derivatives GHRHR, GHSR, SSTR3 NLN 1155/4885DPP4 578/4885MC4R 95/4885
US-20050059699-A1 N-acylated lipophilic amino acid derivatives GHRHR, NPPA, SSTR5 NLN 558/4885DPP4 689/4885MC4R 165/4885
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives GHRHR, NPPA, SSTR5 NLN 558/4885DPP4 689/4885MC4R 165/4885

“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.