SCHEMBL23201079

SCHEMBL23201079

O=C(O)C(=O)NCC1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
FDPS P14324 1/20 0.39
FPR3 P25089 2/20 0.38
FPR2 P25090 2/20 0.38
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 2/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NLRP1 Q9C000 1/20 0.37

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
SCHEMBL23201076 1.00 DRD2 (0.39) DRD2DRD3FDPSFPR3FPR2
SCHEMBL3335001 0.85 CYP2D6 (0.42) DRD2DRD3FDPSFPR3FPR2
SCHEMBL14919306 0.85 CYP2D6 (0.42) DRD2DRD3FDPSFPR3FPR2
SCHEMBL2937827 0.85 CYP2D6 (0.42) DRD2DRD3FDPSFPR3FPR2
Hydrochloric Acid SCHEMBL27126809 0.83 DRD2 (0.41) DRD2DRD3FDPSFPR3FPR2
Hydrochloric Acid SCHEMBL27007558 0.83 DRD2 (0.41) DRD2DRD3FDPSFPR3FPR2
SCHEMBL3432465 0.81 OPRM1 (0.39) DRD2DRD3FDPSFPR3FPR2
SCHEMBL24322652 0.81 SMN1; SMN2 (0.42) DRD2DRD3FDPSFPR3FPR2
SCHEMBL28532872 0.81 DRD2 (0.44) DRD2DRD3FDPSFPR3FPR2
SCHEMBL28532873 0.81 DRD2 (0.44) DRD2DRD3FDPSFPR3FPR2

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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
CN-112469725-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2021-03-09 CN 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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL DRD2 4764/4885DRD3 4648/4885FDPS 338/4885

“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.