SCHEMBL22017702

SCHEMBL22017702

CC(C)N1CCN(C2CC2)C(=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 1/20 0.42
TP53 P04637 2/20 0.34
NPY5R Q15761 1/20 0.34
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE4A P27815 1/20 0.30
IDH1 O75874 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL26141150 0.82 NPY5R (0.44) IL4I1NPY5RMAPT
SCHEMBL22017463 0.80 ALDH1A1 (0.37) MAPTHRH3
SCHEMBL26141149 0.74 NPY5R (0.40) IL4I1NPY5RHRH3
SCHEMBL24886122 0.73 NOS1 (0.32) NPY5R
SCHEMBL23714591 0.71 NPY5R (0.38) NPY5R
SCHEMBL12890580 0.70 PIK3CD (0.35) MAPT
SCHEMBL17704768 0.69 POLB (0.42) IL4I1TP53PARP1POLB
SCHEMBL22017937 0.68 HRH3 (0.39) HRH3
SCHEMBL19766560 0.67 PARP1 (0.35) PARP1PARP2HRH3IDH1
SCHEMBL18650806 0.67 P2RX7 (0.35) MAPTHRH3

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-11332485-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-05-17 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
US-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-21 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-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL IL4I1 1348/4885TP53 3933/4885NPY5R 4697/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL IL4I1 1348/4885TP53 3933/4885NPY5R 4697/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL IL4I1 1348/4885TP53 3933/4885NPY5R 4697/4885

“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.