SCHEMBL22017687

SCHEMBL22017687

CCCCCCCC(CCCCCC)N1CCNC(=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
NAAA Q02083 1/20 0.41
DHPS P49366 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
CCR2 P41597 1/20 0.33
ALOX5 P09917 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FDPS P14324 3/20 0.33
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
THRB P10828 2/20 0.31
PSMD14 O00487 1/20 0.30
PLA2G1B P04054 1/20 0.30
MMP2 P08253 1/20 0.30
RAD52 P43351 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
PARP1 P09874 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
SCHEMBL23608119 1.00 FAAH (0.41) FAAHNAAADHPSGPR84CCR2
SCHEMBL25132003 0.85 FAAH (0.51) FAAHNAAADHPSGPR84CCR2
SCHEMBL23921699 0.85 FAAH (0.51) FAAHNAAADHPSGPR84CCR2
SCHEMBL23608284 0.80 LMNA (0.32) FAAHNAAA
SCHEMBL21283589 0.76 FAAH (0.45) FAAHNAAADHPSGPR84CCR2
SCHEMBL20878441 0.76 FAAH (0.45) FAAHNAAADHPSGPR84CCR2
SCHEMBL25653283 0.75 GNAI3 (0.37) FAAHNAAACCR2ALOX5FDPS
SCHEMBL25131961 0.75 GNAI3 (0.37) FAAHNAAACCR2ALOX5FDPS
SCHEMBL25687608 0.74 FAAH (0.46) FAAHNAAAGPR84CCR2ALOX5
SCHEMBL11047867 0.72 MEN1 (0.50) FAAHNAAAALOX5MEN1KMT2A

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 2 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-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 (2 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 FAAH 3890/4885NAAA 680/4885DHPS 718/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL FAAH 3890/4885NAAA 680/4885DHPS 718/4885

“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.