SCHEMBL7470129

SCHEMBL7470129

CC(C)(C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.58
MME P08473 5/20 0.58
ACE2 Q9BYF1 4/20 0.58
ALDH1A1 P00352 1/20 0.57
NPSR1 Q6W5P4 1/20 0.52
CA2 P00918 1/20 0.52
GPR34 Q9UPC5 2/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
CPA1 P15085 3/20 0.48
FOLH1 Q04609 3/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL22503673 0.88 MME (0.59) ACEMMEACE2ALDH1A1NPSR1
SCHEMBL30000054 0.88 ACE (0.56) ACEMMEACE2ALDH1A1NPSR1
SCHEMBL8726475 0.86 ACE (0.63) ACEMMEACE2ALDH1A1NPSR1
SCHEMBL30587429 0.86 ACE (0.59) ACEMMEACE2NPSR1CPA1
SCHEMBL908204 0.86 ACE (0.63) ACEMMEACE2ALDH1A1NPSR1
SCHEMBL2550703 0.86 FOLH1 (0.61) ACEMMEACE2NPSR1CA2
SCHEMBL2550705 0.86 FOLH1 (0.61) ACEMMEACE2NPSR1CA2
SCHEMBL908205 0.86 ACE (0.63) ACEMMEACE2ALDH1A1NPSR1
SCHEMBL12863002 0.86 NPSR1 (0.69) ACEMMEACE2NPSR1CPA1
SCHEMBL17468460 0.86 NPSR1 (0.69) ACEMMEACE2NPSR1CPA1

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
CN-115340468-B (R) -deuterated phenylalanine derivative and preparation method thereof 西南大学 2023-10-24 CN disclosed
CN-115340468-A (R) -deuterated phenylalanine derivative and preparation method thereof 西南大学 2022-11-15 CN disclosed
EP-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 EP disclosed
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-24 US disclosed
US-6087357-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 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-20020010182-A1 Piperazine derivatives as tachykinin antagonists PKD2, SSTR5, TAC3 ACE 488/4885MME 589/4885ACE2 549/4885

“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.