SCHEMBL683088

SCHEMBL683088

C[C@H](N[C@@H](CCCCN)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.65
▸ REN P00797 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ F2 P00734 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PEPD P12955 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ACE2 Q9BYF1 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
SCHEMBL7325587 1.00 ACE (0.65) ACERENLMNAKDM4EF2
SCHEMBL11025470 1.00 ACE (0.65) ACERENLMNAKDM4EF2
SCHEMBL11025476 1.00 ACE (0.65) ACERENLMNAKDM4EF2
SCHEMBL7365812 1.00 ACE (0.65) ACERENLMNAKDM4EF2
SCHEMBL14656942 0.99 ACE (0.64) ACERENLMNA
SCHEMBL7325543 0.99 ACE (0.64) ACERENLMNA
SCHEMBL2230723 0.99 ACE (0.64) ACERENLMNA
SCHEMBL4443705 0.99 ACE (0.64) ACERENLMNA
SCHEMBL7197807 0.99 ACE (0.64) ACERENLMNA
SCHEMBL7320652 0.99 ACE (0.64) ACERENLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 — — US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 — — US disclosed
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 — — US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 — — US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 — — 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 (2 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 ACE 4514/4885REN 4301/4885LMNA 3688/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885REN 15/4885LMNA 2155/4885

“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.

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