SCHEMBL5028495

SCHEMBL5028495

CN(CCC1CCC(C(=O)O)CC1)c1ncc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LSS P48449 1/20 0.34
CHRM4 P08173 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
VCP P55072 1/20 0.32
DRD2 P14416 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL5024111 1.00 PLG (0.35) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5025601 0.87 LSS (0.38) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5025600 0.87 LSS (0.38) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5025675 0.86 TAS2R14 (0.38) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5025673 0.86 TAS2R14 (0.38) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5026543 0.86 TAS2R14 (0.35) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5026538 0.86 TAS2R14 (0.35) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5026527 0.84 NR1H2 (0.35) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5026534 0.84 NR1H2 (0.35) PLGPLATLMNACYP4F2CYP4A11
SCHEMBL5763112 0.83 BRD4 (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP disclosed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 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-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives LSS, CYP51A1, CYP46A1 PLG 2104/4885PLAT 3049/4885LMNA 1652/4885

“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.