SCHEMBL22017935

SCHEMBL22017935

CCN1CCN(C(C)C)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PER2 O15055 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
CRY2 Q49AN0 1/20 0.31
ALOX15 P16050 1/20 0.31
PIK3CD O00329 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL22017464 0.84 L3MBTL1 (0.34) L3MBTL1PER2POLBCRY2
SCHEMBL22017463 0.82 ALDH1A1 (0.37) GAAL3MBTL1PER2PIK3CDALDH1A1
SCHEMBL12566554 0.82 GAA (0.48) GAAL3MBTL1POLBSMN1; SMN2ALOX15
SCHEMBL22017741 0.82 PIK3CD (0.46) L3MBTL1PER2POLBCRY2PIK3CD
SCHEMBL13572995 0.81 ALDH1A1 (0.38) GAAL3MBTL1PER2POLBSMN1; SMN2
SCHEMBL2602303 0.81 PER2 (0.44) PER2SMN1; SMN2CRY2ALOX15PIK3CD
SCHEMBL22017742 0.79 CYP2D6 (0.36) GAAL3MBTL1PER2POLBCRY2
SCHEMBL22017743 0.79 PER2 (0.32) PER2
SCHEMBL22017468 0.79 PER2 (0.38) PER2CRY2
SCHEMBL22017739 0.79 PER2 (0.37) PER2CRY2PIK3CD

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 GAA 345/4885L3MBTL1 455/4885PER2 3231/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL GAA 345/4885L3MBTL1 455/4885PER2 3231/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL GAA 345/4885L3MBTL1 455/4885PER2 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.