SCHEMBL728642

SCHEMBL728642

O=C(O)C1C(C(=O)Nc2cccc(C(F)(F)F)c2)C2CCC1C21CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.58
FPR1 P21462 1/20 0.58
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.48
EPHX2 P34913 1/20 0.48
FPR3 P25089 1/20 0.48
ALDH1A1 P00352 2/20 0.47
FAAH O00519 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
EGFR P00533 1/20 0.47
ERBB4 Q15303 1/20 0.47

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
SCHEMBL726965 0.84 FPR2 (0.58) FPR2MEN1KMT2AMAPTHTT
SCHEMBL21310365 0.82 HTT (0.62) FPR2FPR1MEN1KMT2AMAPT
SCHEMBL728776 0.76 FPR2 (0.67) FPR2FPR1KMT2ASMN1; SMN2FPR3
SCHEMBL727231 0.75 FPR2 (0.66) FPR2FPR1EPHX2FPR3
SCHEMBL12218482 0.74 ALDH1A1 (0.57) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL20559746 0.74 PARP1 (0.61) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL16008081 0.74 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL20559230 0.74 PARP1 (0.61) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL16009816 0.74 FPR2 (1.00) FPR2FPR1FPR3
SCHEMBL2683071 0.74 FPR2 (1.00) FPR2FPR1FPR3

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 1/4885MEN1 2722/4885

“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.