SCHEMBL22017463

SCHEMBL22017463

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
GRM5 P41594 7/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HCRTR1 O43613 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
P2RX7 Q99572 1/20 0.31
PER2 O15055 1/20 0.31
PIK3CD O00329 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
SCHEMBL12890580 0.87 PIK3CD (0.35) ALDH1A1MAPTGRM5PIK3CD
SCHEMBL22017935 0.82 GAA (0.39) ALDH1A1L3MBTL1GAAPER2PIK3CD
SCHEMBL9602860 0.82 SMN1; SMN2 (0.37) ALDH1A1
SCHEMBL9602857 0.82 ALDH1A1 (0.30) ALDH1A1GRM5
SCHEMBL18792809 0.82 PIK3CD (0.32) ALDH1A1PIK3CD
SCHEMBL596921 0.81 PER2 (0.38) ALDH1A1MAPTL3MBTL1GAATDP1
SCHEMBL22017702 0.80 IL4I1 (0.42) MAPTHRH3
SCHEMBL22017741 0.80 PIK3CD (0.46) L3MBTL1P2RX7PER2PIK3CD
SCHEMBL22017464 0.78 L3MBTL1 (0.34) GRM5L3MBTL1PER2
SCHEMBL21955860 0.78 MAPT (0.34) MAPTL3MBTL1P2RX7

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 ALDH1A1 2794/4885MAPT 3146/4885GRM5 4626/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ALDH1A1 2794/4885MAPT 3146/4885GRM5 4626/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL ALDH1A1 2794/4885MAPT 3146/4885GRM5 4626/4885

“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.