SCHEMBL5025675

SCHEMBL5025675

CN(CC1CCC(C(=O)O)CC1)c1ncc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.38
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
GRIN2B Q13224 1/20 0.37
LMNA P02545 2/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
POLB P06746 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
LTA4H P09960 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 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
SCHEMBL5025673 1.00 TAS2R14 (0.38) TAS2R14MEN1KMT2AGRIN2BLMNA
SCHEMBL20772888 0.87 DAO (0.36) GRIN2BRXRARXRBRXRG
SCHEMBL5028495 0.86 PLG (0.35) TAS2R14MEN1KMT2ALMNAPLG
SCHEMBL5024111 0.86 PLG (0.35) TAS2R14MEN1KMT2ALMNAPLG
SCHEMBL5025534 0.85 TAS2R14 (0.40) TAS2R14MEN1KMT2AGRIN2BLMNA
SCHEMBL5025529 0.85 TAS2R14 (0.40) TAS2R14MEN1KMT2AGRIN2BLMNA
SCHEMBL6013546 0.84 MEN1 (0.37) TAS2R14MEN1KMT2ALMNAPLG
SCHEMBL6013545 0.84 MEN1 (0.37) TAS2R14MEN1KMT2ALMNAPLG
SCHEMBL5024145 0.83 KMT2A (0.40) MEN1KMT2AGRIN2BALDH1A1POLB
SCHEMBL5024150 0.83 KMT2A (0.40) MEN1KMT2AGRIN2BALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP claimed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO claimed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 US claimed
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 TAS2R14 3158/4885MEN1 989/4885KMT2A 1378/4885

“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.