SCHEMBL4115223

SCHEMBL4115223

CCN(CC)CCN(CCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 10/20 0.46
▸ FPR2 P25090 10/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL4115221 0.89 FPR3 (0.48) FPR3FPR2NPC1RAB9AUSP2
SCHEMBL4124390 0.87 MCHR1 (0.54) MCHR1LMNAALDH1A1NFKB1KCNH2
SCHEMBL4107606 0.81 FPR3 (0.46) FPR3FPR2ALDH1A1TDP1
SCHEMBL4120374 0.81 MCHR1 (0.53) MCHR1LMNAALDH1A1NFKB1KCNH2
SCHEMBL4115503 0.80 KMT2A (0.54) LMNAALDH1A1NFKB1KCNH2CA1
SCHEMBL4118963 0.80 MAPT (0.45) FPR3FPR2MCHR1NPC1RAB9A
SCHEMBL4123782 0.77 MCHR1 (0.47) FPR3FPR2MCHR1NPC1RAB9A
SCHEMBL1433076 0.77 MAPT (0.49) FPR3FPR2NPC1RAB9AUSP2
SCHEMBL4119233 0.76 UTS2R (0.46) MCHR1LMNACA1CA2MEN1
SCHEMBL4125813 0.74 GHSR (0.46) MCHR1LMNACA1CA2CYP3A4

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 839/4885MCHR1 4128/4885

“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.

Send feedback