SCHEMBL14945720

SCHEMBL14945720

Cc1ccc(COCCC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.47
KCNH2 Q12809 3/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CHRM3 P20309 3/20 0.39
MAOB P27338 3/20 0.39
IDO1 P14902 1/20 0.37
GBA1 P04062 1/20 0.36
UGCG Q16739 1/20 0.36
GBA2 Q9HCG7 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL22667771 0.92 TSHR (0.39) AGXTKCNH2CHRM3IDO1
SCHEMBL14700467 0.85 AGXT (0.44) AGXTKCNH2CA1CA2CA9
SCHEMBL26972290 0.84 ESR1 (0.52) CHRM3
SCHEMBL12270447 0.83 AGXT (0.58) AGXTKCNH2CA1CA2CA9
SCHEMBL19491256 0.82 APP (0.46) KCNH2CHRM3NPC1RAB9ALMNA
SCHEMBL11962820 0.82 AGXT (0.45) AGXTKCNH2CA1CA2CA9
SCHEMBL6886009 0.82 TSHR (0.56) AGXTCA1IDO1SMN1; SMN2CYP1A2
SCHEMBL18085579 0.79 PTPN2 (0.35) IDO1
SCHEMBL18194471 0.79 RIPK1 (0.34) IDO1
SCHEMBL24590308 0.79 AGXT (0.50) AGXTKCNH2CA1CA2CA9

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-8492556-B2 2,5-Dioxoimidazolidin-1-yl-3-phenylurea derivatives as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-20130123215-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-05-16 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-20130123215-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR2, FPR3 AGXT 3594/4885KCNH2 4044/4885CA1 4859/4885

“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.