SCHEMBL10100370

SCHEMBL10100370

CC(C)OCCCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
KEAP1 Q14145 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL9917383 0.94 HRH3 (0.51) ALDH1A1SMN1; SMN2KEAP1MEN1NPC1
SCHEMBL20328708 0.88 MAPK1 (0.46) ALDH1A1SMN1; SMN2KEAP1KDM4EMAPK1
SCHEMBL20328707 0.88 TSHR (0.43) ALDH1A1SMN1; SMN2KEAP1MEN1NPC1
SCHEMBL4104702 0.86 MEN1 (0.43) ALDH1A1SMN1; SMN2KEAP1MEN1KMT2A
SCHEMBL13222786 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KEAP1MEN1NPC1
SCHEMBL20328722 0.85 PAOX (0.51) ALDH1A1SMN1; SMN2KEAP1KDM4EMAPK1
SCHEMBL22861372 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KEAP1MEN1NPC1
SCHEMBL20328698 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KEAP1KDM4EMAPK1
SCHEMBL20328738 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KEAP1MEN1NPC1
SCHEMBL13066033 0.84 TSHR (0.49) ALDH1A1SMN1; SMN2KEAP1MEN1KMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF EVOTEC (FRANCE) SAS (FR) 2023-01-19 US disclosed
US-20220267352-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-08-25 US disclosed
US-11230557-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
WO-2021195599-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2021-09-30 WO disclosed
US-11021492-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-20110008284-A1 NOVEL CLYCLOSPORIN ANALOGUES ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20110008284-A1 NOVEL CLYCLOSPORIN ANALOGUES ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100209390-A1 CYCLOSPORIN ANALOGUES ENANTA PHARMACEUTICALS, INC. 2010-08-19 US disclosed
US-7771742-B2 Producing eye insertable drug delivery agent; extruding active ingredient with polyvinyl alcohol free biodegradable polymer; pharmacokinetics ALLERGAN, INC. (US) 2010-08-10 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20080260803-A1 Producing eye insertable drug delivery agent; extruding active ingredient with polyvinyl alcohol free biodegradable polymer ALLERGAN,INC. (US) 2008-10-23 US disclosed
US-20080254096-A1 Using polyvinyl alcohol free biodegradable polymer matrix; reducing side effects, invasive procedures and high transient concentrations; glaucoma, proliferative vitreoretinopathy ALLERGAN,INC (US) 2008-10-16 US disclosed
US-20080241252-A1 METHODS AND COMPOSITIONS FOR INTRAOCULAR ADMINISTRATION TO TREAT OCULAR CONDITIONS ALLERGAN, INC. (US) 2008-10-02 US disclosed
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 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 (11 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-20110008284-A1 NOVEL CLYCLOSPORIN ANALOGUES CHP1, FKBP1B, FKBP1A ALDH1A1 4167/4885SMN1; SMN2 4751/4885KEAP1 2343/4885
US-20220267352-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR ALDH1A1 4627/4885SMN1; SMN2 2228/4885KEAP1 1760/4885
US-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR ALDH1A1 4766/4885SMN1; SMN2 2851/4885KEAP1 2097/4885
US-11230557-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR ALDH1A1 4766/4885SMN1; SMN2 2851/4885KEAP1 2097/4885
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF MTOR, RPTOR, RICTOR ALDH1A1 4764/4885SMN1; SMN2 1159/4885KEAP1 1931/4885
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR ALDH1A1 4766/4885SMN1; SMN2 2851/4885KEAP1 2097/4885
US-20100209390-A1 CYCLOSPORIN ANALOGUES HAVCR2, CHP1, ICOS ALDH1A1 2724/4885SMN1; SMN2 4414/4885KEAP1 1590/4885
US-20080254096-A1 Using polyvinyl alcohol free biodegradable polymer matrix; reducing side effects, invasive procedures and high transient concentrations; glaucoma, proliferative vitreoretinopathy VEGFA, PTK2, KDR ALDH1A1 1521/4885SMN1; SMN2 4227/4885KEAP1 3932/4885
US-20080241252-A1 METHODS AND COMPOSITIONS FOR INTRAOCULAR ADMINISTRATION TO TREAT OCULAR CONDITIONS FLT1, JAK1, KDR ALDH1A1 4379/4885SMN1; SMN2 2992/4885KEAP1 2155/4885
US-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 ALDH1A1 100/4885SMN1; SMN2 2260/4885KEAP1 2289/4885
US-11021492-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR ALDH1A1 4766/4885SMN1; SMN2 2851/4885KEAP1 2097/4885

“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.