SCHEMBL13626401

SCHEMBL13626401

CCCC[C@@H]1CCC(=O)N1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.42
PTGER3 P43115 4/20 0.42
PTGER2 P43116 4/20 0.42
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 3/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
ADRB1 P08588 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL13205695 1.00 PTGER4 (0.42) PTGER4PTGER3PTGER2TP53GAA
SCHEMBL10772975 0.88 PTGER4 (0.38) PTGER4PTGER3PTGER2TP53GAA
Methylamine SCHEMBL5482373 0.82 FAAH (0.47) PTGER4PTGER3PTGER2TP53CYP1A2
SCHEMBL1865254 0.81 PTGER4 (0.52) PTGER4PTGER3PTGER2TP53GAA
SCHEMBL2038529 0.80 PDK2 (0.34) PTGER4PTGER3PTGER2MEN1KMT2A
SCHEMBL5543698 0.79
SCHEMBL17835254 0.79
SCHEMBL12243288 0.79
SCHEMBL1866699 0.79 PTGER4 (0.44) PTGER4PTGER3PTGER2TP53CYP1A2
SCHEMBL11767858 0.78 BRD4 (0.43) PTGER4PTGER3PTGER2MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286787-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 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 (1 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-20090286787-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS GLA, GUSB, GANAB PTGER4 2687/4885PTGER3 2745/4885PTGER2 3210/4885

“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.