SCHEMBL20415534

SCHEMBL20415534

CCCCCCCCCC(=O)NC(C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.48
▸ ACE2 Q9BYF1 3/20 0.48
▸ SLC6A2 P23975 1/20 0.46
▸ OPRD1 P41143 5/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ AGTR1 P30556 2/20 0.44
▸ AGTR2 P50052 2/20 0.44
▸ ANPEP P15144 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.44
▸ CMA1 P23946 3/20 0.44
▸ NMUR2 Q9GZQ4 2/20 0.43
▸ NMUR1 Q9HB89 2/20 0.43
▸ BDKRB2 P30411 1/20 0.43
▸ NTSR1 P30989 1/20 0.43

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
SCHEMBL18373909 1.00 ACE (0.48) ACEACE2SLC6A2OPRD1OPRM1
SCHEMBL20415547 1.00 ACE (0.48) ACEACE2SLC6A2OPRD1OPRM1
SCHEMBL18373948 1.00 ACE (0.48) ACEACE2SLC6A2OPRD1OPRM1
SCHEMBL28918692 0.97 ACE (0.51) ACEACE2SLC6A2OPRD1OPRM1
SCHEMBL28918709 0.97 ACE (0.51) ACEACE2SLC6A2OPRD1OPRM1
SCHEMBL18373952 0.90 ACE (0.52) ACEACE2SLC6A2OPRD1OPRM1
SCHEMBL28918691 0.90 ACE (0.52) ACEACE2SLC6A2OPRD1OPRM1
SCHEMBL24519195 0.89 ACE (0.55) ACEACE2OPRD1OPRM1ANPEP
SCHEMBL18373947 0.89 ACE (0.55) ACEACE2OPRD1OPRM1ANPEP
SCHEMBL18373953 0.89 ACE (0.55) ACEACE2OPRD1OPRM1ANPEP

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-20230018246-A1 PYRROLIDINE CARBOXAMIDO DERIVATIVES AND METHODS FOR PREPARING AND USING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2023-01-19 — — US disclosed
US-11365215-B2 Method for preventing, improving, or treating inflammatory bowel disease KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-06-21 — — US disclosed
US-20180208625-A1 METHOD FOR PREVENTING, IMPROVING, OR TREATING INFLAMMATORY BOWEL DISEASE KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-07-26 — — 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-20180208625-A1 METHOD FOR PREVENTING, IMPROVING, OR TREATING INFLAMMATORY BOWEL DISEASE SI, NOD2, TNF ACE 1039/4885ACE2 1532/4885SLC6A2 4635/4885
US-11365215-B2 Method for preventing, improving, or treating inflammatory bowel disease SI, NOD2, TNF ACE 1039/4885ACE2 1532/4885SLC6A2 4635/4885
US-20230018246-A1 PYRROLIDINE CARBOXAMIDO DERIVATIVES AND METHODS FOR PREPARING AND USING THE SAME NOD2, SI, APC ACE 1293/4885ACE2 1072/4885SLC6A2 4862/4885

“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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