SCHEMBL9986455

SCHEMBL9986455

CC1(C)[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(I)cc1)[C@H]2C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 19/20 1.00
FPR3 P25089 1/20 0.44
FPR1 P21462 1/20 0.43

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
SCHEMBL726769 1.00 FPR2 (1.00) FPR2FPR3FPR1
SCHEMBL23130079 1.00 FPR2 (1.00) FPR2FPR3FPR1
SCHEMBL727462 0.88 FPR2 (1.00) FPR2FPR1
SCHEMBL9985633 0.88 FPR2 (1.00) FPR2FPR1
SCHEMBL727603 0.86 FPR2 (1.00) FPR2FPR3FPR1
SCHEMBL727005 0.86 FPR2 (1.00) FPR2FPR3FPR1
SCHEMBL9985516 0.85 FPR2 (1.00) FPR2FPR3
SCHEMBL728585 0.85 FPR2 (1.00) FPR2FPR3
SCHEMBL9985944 0.84 FPR2 (0.73) FPR2
SCHEMBL726086 0.84 FPR2 (0.73) FPR2

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-8618163-B2 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) 2013-12-31 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 2/4885FPR3 3/4885FPR1 1/4885

“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.