SCHEMBL4107606

SCHEMBL4107606

CC(C)(C)OC(=O)NCCN(CCN1CCCC1)C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 6/20 0.46
▸ FPR2 P25090 6/20 0.46
▸ ACHE P22303 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ DRD2 P14416 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ CASR P41180 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.41

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
SCHEMBL4123704 0.90 DRD2 (0.53) ACHEBACE1DRD2CD274
SCHEMBL4119993 0.89 KDM4E (0.51) ACHEBACE1DRD2KDM4EALDH1A1
SCHEMBL4114315 0.88 EPHX2 (0.50) FPR3FPR2ACHEBACE1DRD2
SCHEMBL4115221 0.83 FPR3 (0.48) FPR3FPR2TDP1
SCHEMBL4107385 0.82 ALDH1A1 (0.53) ACHEBACE1DRD2KDM4EALDH1A1
SCHEMBL4115223 0.81 FPR3 (0.46) FPR3FPR2ALDH1A1TDP1
SCHEMBL4120380 0.80 ALDH1A1 (0.45) ACHEBACE1DRD2KDM4EALDH1A1
SCHEMBL4126336 0.78 CNR1 (0.50) FPR3FPR2L3MBTL1TNIK
SCHEMBL4129069 0.76 DRD2 (0.45) FPR3FPR2DRD2CD274CASR
SCHEMBL4118371 0.74 EPHX2 (0.54) FPR3FPR2

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
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US disclosed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS FPR3 3043/4885FPR2 839/4885ACHE 4505/4885

“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.

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