SCHEMBL22017741

SCHEMBL22017741

CC(C)CN1CCN(C(C)C)C(=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.46
POLB P06746 1/20 0.39
PER2 O15055 2/20 0.36
HDAC1 Q13547 1/20 0.35
CRY2 Q49AN0 1/20 0.33
PARP1 P09874 1/20 0.32
P2RX7 Q99572 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL22017739 0.85 PER2 (0.37) PIK3CDPER2CRY2
SCHEMBL22017935 0.82 GAA (0.39) PIK3CDPOLBPER2CRY2L3MBTL1
SCHEMBL10121114 0.82 PER2 (0.50) PIK3CDPOLBPER2HDAC1CRY2
SCHEMBL22017463 0.80 ALDH1A1 (0.37) PIK3CDPER2P2RX7L3MBTL1
SCHEMBL12545892 0.79 PIK3CD (0.48) PIK3CDPOLBHDAC1PARP1P2RX7
SCHEMBL22017464 0.78 L3MBTL1 (0.34) POLBPER2CRY2L3MBTL1
SCHEMBL22017742 0.77 CYP2D6 (0.36) POLBPER2CRY2L3MBTL1
SCHEMBL22017743 0.77 PER2 (0.32) PER2
SCHEMBL22017468 0.77 PER2 (0.38) PER2CRY2
SCHEMBL22017937 0.76 HRH3 (0.39) PIK3CDPER2

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 PIK3CD 4344/4885POLB 2001/4885PER2 3231/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL PIK3CD 4344/4885POLB 2001/4885PER2 3231/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL PIK3CD 4344/4885POLB 2001/4885PER2 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.