SCHEMBL726619

SCHEMBL726619

O=C(O)C1C(C(=O)Nc2ccc(Cl)cc2)C2CCC1C21CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 13/20 0.76
FPR1 P21462 1/20 0.76
ALDH1A1 P00352 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HTT P42858 2/20 0.59
LMNA P02545 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
FPR3 P25089 1/20 0.57
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
PPM1B O75688 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL6126043 0.86 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL16008110 0.86 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL19549551 0.86 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL2683071 0.86 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL726621 0.86 FPR2 (0.76) FPR2FPR1ALDH1A1SMN1; SMN2HTT
SCHEMBL16008081 0.86 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL726808 0.86 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL16009816 0.86 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL726629 0.86 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL728519 0.86 FPR2 (0.76) FPR2FPR1ALDH1A1MEN1KMT2A

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
WO-2011163502-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 WO disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 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-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY FPR1, FPR2, FPR3 FPR2 2/4885FPR1 1/4885ALDH1A1 1981/4885

“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.