SCHEMBL23200719

SCHEMBL23200719

C[C@H](N)CNCCNC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
ANPEP P15144 8/20 0.33
DNPEP Q9ULA0 2/20 0.33

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
SCHEMBL23200720 1.00 CYP2D6 (0.46) CYP2D6CYP2C19GABRPGABRDGABRA1
SCHEMBL25359136 0.83 CYP2C19 (0.62) CYP2D6CYP2C19ANPEPALDH1A1USP2
SCHEMBL4528459 0.80
SCHEMBL842714 0.80
SCHEMBL856065 0.80
SCHEMBL9043256 0.79 ALDH1A1 (0.39) ANPEPALDH1A1TSHRERAP2GBA1
SCHEMBL753089 0.79 ALDH1A1 (0.39) ANPEPALDH1A1TSHRERAP2GBA1
SCHEMBL9425876 0.79 ALDH1A1 (0.39) ANPEPALDH1A1TSHRERAP2GBA1
SCHEMBL9079391 0.79 ALDH1A1 (0.39) ANPEPALDH1A1TSHRERAP2GBA1
SCHEMBL9079828 0.79 ALDH1A1 (0.39) ANPEPALDH1A1TSHRERAP2GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2023-04-13 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
WO-2021108023-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-03 WO disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CYP2D6 2325/4885CYP2C19 2901/4885GABRP 583/4885
US-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CYP2D6 2325/4885CYP2C19 2901/4885GABRP 583/4885

“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.