SCHEMBL22017742

SCHEMBL22017742

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PER2 O15055 2/20 0.35
CRY2 Q49AN0 1/20 0.32
DPP4 P27487 1/20 0.30
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PABPC1 P11940 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
SCHEMBL20912155 0.83 PER2 (0.44) PER2CRY2DPP4
SCHEMBL22017464 0.83 L3MBTL1 (0.34) PER2CRY2L3MBTL1POLB
SCHEMBL22017468 0.81 PER2 (0.38) PER2CRY2
SCHEMBL22017743 0.81 PER2 (0.32) PER2
SCHEMBL13572995 0.80 ALDH1A1 (0.38) PER2KMT2AMEN1MAPTL3MBTL1
SCHEMBL22017740 0.79 HRH3 (0.40) HRH3KMT2AGAAALDH1A1
SCHEMBL22017462 0.79 PER2 (0.33) PER2CRY2
SCHEMBL22017935 0.79 GAA (0.39) PER2CRY2L3MBTL1POLBGAA
SCHEMBL22017741 0.77 PIK3CD (0.46) PER2CRY2L3MBTL1POLB
SCHEMBL22017463 0.77 ALDH1A1 (0.37) HRH3PER2MAPTL3MBTL1KDM4E

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 CYP2D6 2325/4885HRH3 4642/4885PER2 3231/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CYP2D6 2325/4885HRH3 4642/4885PER2 3231/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL CYP2D6 2325/4885HRH3 4642/4885PER2 3231/4885

“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.