SCHEMBL22017937

SCHEMBL22017937

CC(C)N1CCN(CC2CC2)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
GRM2 Q14416 9/20 0.38
KCNH2 Q12809 7/20 0.35
GRM5 P41594 1/20 0.33
PIK3CD O00329 1/20 0.33
PER2 O15055 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL22017935 0.77 GAA (0.39) PIK3CDPER2GAA
SCHEMBL22017463 0.76 ALDH1A1 (0.37) HRH3GRM5PIK3CDPER2GAA
SCHEMBL22017741 0.76 PIK3CD (0.46) PIK3CDPER2
SCHEMBL22017464 0.74 L3MBTL1 (0.34) GRM5PER2
SCHEMBL22017468 0.73 PER2 (0.38) PER2
SCHEMBL22017743 0.73 PER2 (0.32) PER2
SCHEMBL22017739 0.73 PER2 (0.37) PIK3CDPER2
SCHEMBL22017742 0.73 CYP2D6 (0.36) HRH3PER2GAA
Hydrochloric Acid SCHEMBL1439110 0.72 DRD2 (0.46) PER2
SCHEMBL13572995 0.71 ALDH1A1 (0.38) GRM5PER2GAA

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 HRH3 4642/4885GRM2 4655/4885KCNH2 4788/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL HRH3 4642/4885GRM2 4655/4885KCNH2 4788/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL HRH3 4642/4885GRM2 4655/4885KCNH2 4788/4885

“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.