Sugi Predict

Sugi Predict / Compounds / SCHEMBL4805754

SCHEMBL4805754

SCHEMBL4805754

CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.55
▸ CCR5 P51681 1/20 0.48
▸ ENPP2 Q13822 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ABCB1 P08183 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL4803965 1.00 SIGMAR1 (0.55) SIGMAR1CCR5ENPP2ALDH1A1MAPT
SCHEMBL4803972 1.00 SIGMAR1 (0.55) SIGMAR1CCR5ENPP2ALDH1A1MAPT
SCHEMBL1058888 0.94 SIGMAR1 (0.60) SIGMAR1CCR5ENPP2ALDH1A1MAPT
SCHEMBL8029227 0.88 SIGMAR1 (0.64) SIGMAR1CCR5ENPP2ALDH1A1MAPT
SCHEMBL31460798 0.87 SIGMAR1 (0.54) SIGMAR1CCR5ENPP2ALDH1A1MAPT
SCHEMBL30865762 0.87 SIGMAR1 (0.53) SIGMAR1CCR5ENPP2ALDH1A1MAPT
SCHEMBL4205099 0.87 SIGMAR1 (0.63) SIGMAR1CCR5ENPP2ALDH1A1HPGD
SCHEMBL18158228 0.86 SIGMAR1 (0.53) SIGMAR1CCR5ENPP2ALDH1A1MAPT
SCHEMBL131871 0.85 SIGMAR1 (0.52) SIGMAR1CCR5ENPP2ALDH1A1MAPT
SCHEMBL4799048 0.85 SIGMAR1 (0.55) SIGMAR1CCR5ENPP2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 — — US disclosed
CN-100455566-C Novel derivatives of aminocyclohexane HOFFMANN LA ROCHE (CH) 2009-01-28 — — CN disclosed
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 — — US disclosed
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 — — EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 — — US disclosed
EP-1768658-A1 HYDROXYALKYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 — — EP disclosed
WO-2006125451-A1 HYDROXYALKYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-30 — — WO disclosed
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 — — EP disclosed
US-6965048-B2 Hydroxyalkylamide derivatives HOFFMANN-LA ROCHE INC. (US) 2005-11-15 — — US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 — — US 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
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 — — US disclosed
US-20050009906-A1 e.g., N-{4-[3-(4-Hydroxy-piperidin-1-yl)-3-oxo-propoxy]-cyclohexyl}-N-methyl-4-trifluoromethyl-benzenesulfonamide and p-chlorophenyl methyl-(2-{4-[methyl-(2-methylcarbamoyl-ethyl)-carbamoyl]-cyclohexyl}-ethyl)-carbamate F. HOFFMAN-LA ROCHE AG (CH) 2005-01-13 — — US disclosed
CN-1468214-A Novel derivatives of aminocyclohexane - 2004-01-14 — — CN disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 — — EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 — — US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 — — 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 (5 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 SIGMAR1 2967/4885CCR5 3491/4885ENPP2 458/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 SIGMAR1 3115/4885CCR5 2744/4885ENPP2 2022/4885
US-20050009906-A1 e.g., N-{4-[3-(4-Hydroxy-piperidin-1-yl)-3-oxo-propoxy]-cyclohexyl}-N-methyl-4-trifluoromethyl-benzenesulfonamide and p-chlorophenyl methyl-(2-{4-[methyl-(2-methylcarbamoyl-ethyl)-carbamoyl]-cyclohexyl}-ethyl)-carbamate CYP51A1, CYP46A1, LSS SIGMAR1 4250/4885CCR5 2442/4885ENPP2 689/4885
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 SIGMAR1 4687/4885CCR5 3866/4885ENPP2 244/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 SIGMAR1 4687/4885CCR5 3866/4885ENPP2 244/4885

“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.