SCHEMBL244885

SCHEMBL244885

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.69
ACE P12821 9/20 0.67
MME P08473 7/20 0.67
ACE2 Q9BYF1 6/20 0.67
L3MBTL1 Q9Y468 1/20 0.57
NAALAD2 Q9Y3Q0 1/20 0.55
CPA1 P15085 5/20 0.54
KMT2A Q03164 1/20 0.53
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
FPR2 P25090 1/20 0.51

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
SCHEMBL12863002 1.00 NPSR1 (0.69) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL17468460 1.00 NPSR1 (0.69) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL683352 0.89 NPSR1 (0.55) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL684246 0.89 NPSR1 (0.55) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL30587429 0.87 ACE (0.59) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL2550703 0.87 FOLH1 (0.61) NPSR1ACEMMEACE2NAALAD2
SCHEMBL2550705 0.87 FOLH1 (0.61) NPSR1ACEMMEACE2NAALAD2
SCHEMBL10408617 0.87 ACE (0.68) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL12862963 0.87 NPSR1 (0.54) NPSR1ACEMMEACE2MMP1
SCHEMBL13886186 0.86 NPSR1 (0.54) NPSR1ACEMMEACE2L3MBTL1

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854772-A Analogue of endomorphin and adenine conjugated peptide with analgesic activity and synthesis method thereof 中国人民解放军空军军医大学 2023-10-10 CN claimed
CN-115340468-B (R) -deuterated phenylalanine derivative and preparation method thereof 西南大学 2023-10-24 CN disclosed
CN-116854772-A Analogue of endomorphin and adenine conjugated peptide with analgesic activity and synthesis method thereof 中国人民解放军空军军医大学 2023-10-10 CN disclosed
EP-3565573-B1 PAC1 RECEPTOR AGONISTS (MAXCAPS) AND USES THEREOF UNIV CALIFORNIA (US) 2023-08-23 EP disclosed
CN-115340468-A (R) -deuterated phenylalanine derivative and preparation method thereof 西南大学 2022-11-15 CN disclosed
US-11186622-B2 PAC1 receptor agonists (MAXCAPS) and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-30 US disclosed
US-10905736-B2 Ezetimibe-associated ApoA-I mimetic peptides showing enhanced synergism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-02 US disclosed
US-10844102-B2 Peptides, compositions, and methods for stimulating subcutaneous adipogenesis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-24 US disclosed
US-10766927-B2 Peptides that stimulate subcutaneous adipogenesis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-08 US disclosed
US-20190322718-A1 PAC1 RECEPTOR AGONISTS (MAXCAPS) AND USES THEREOF THE UNITED STATES GOVERNMENT REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2019-10-24 US disclosed
US-20020151546-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2002-10-17 US disclosed
WO-2002064551-A1 HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES PHARMACOR INC. (CA) 2002-08-22 WO disclosed
WO-2002015923-A1 ORALLY ADMINISTERED PEPTIDES TO AMELIORATE ATHEROSCLEROSIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-02-28 WO disclosed
US-5202312-A Antiarthritic agents, antiallergens, antidiabetic agents TANABE SEIYAKU CO., LTD. (JP) 1993-04-13 US disclosed
EP-0372818-A2 Imidazole-containing peptide and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1990-06-13 EP disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 EP disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP 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-20020151546-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 NPSR1 3222/4885ACE 24/4885MME 176/4885

“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.