SCHEMBL5025599

SCHEMBL5025599

O=C(O)[C@H]1CC[C@H](CCNCc2ncc(Cl)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
VCP P55072 6/20 0.37
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.35
MCHR1 Q99705 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM2 P08172 3/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 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
SCHEMBL5024109 0.87 CHRM4 (0.39) PLGPLATLMNAVCPEBP
SCHEMBL5026536 0.85 PLG (0.36) PLGPLATLMNAVCPMCHR1
SCHEMBL5025568 0.79 HTT (0.50) LMNASIGMAR1HTR1AMEN1KMT2A
SCHEMBL5028545 0.77 EPHX2 (0.38) MAOAMAOBSIGMAR1HTR1AL3MBTL1
SCHEMBL5025670 0.74 KMT2A (0.42) PLGPLATLMNAVCPMEN1
SCHEMBL5025524 0.72 KMT2A (0.43) PLGPLATLMNAVCPMEN1
SCHEMBL5025601 0.71 LSS (0.38) PLGPLATLMNAVCP
SCHEMBL5025600 0.71 LSS (0.38) PLGPLATLMNAVCP
SCHEMBL9259550 0.68 MEN1 (0.57) LMNAMEN1ALDH1A1CYP2C9KMT2A
SCHEMBL5025581 0.68 LSS (0.41) VCPTDP1MEN1ALDH1A1KMT2A

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.