SCHEMBL687775

SCHEMBL687775

CC1=NC(CO)(CCc2ccc(O)cc2)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
CA2 P00918 1/20 0.37
ESR1 P03372 6/20 0.36
ESR2 Q92731 3/20 0.36
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GFER P55789 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ADRA2A P08913 3/20 0.33
SLC6A2 P23975 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSPD1 P10809 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL10168052 0.89 LMNA (0.37) LMNATAAR1
SCHEMBL27195609 0.84 ESR1 (0.42) LMNAESR1ALDH1A1KDM4EADRA2A
SCHEMBL28755747 0.81 PTGS2 (0.34) LMNAESR1ADRB3PTGS1PTGS2
SCHEMBL28755748 0.80 LMNA (0.32) LMNA
SCHEMBL8060462 0.76 LMNA (0.47) LMNAALDH1A1CYP3A4CYP2C19KMT2A
SCHEMBL22179402 0.66 CNR2 (0.32)
SCHEMBL26554557 0.63 CA2 (0.37) LMNACA2ESR1ESR2ALDH1A1
SCHEMBL13558751 0.63 PRKCA (0.36) LMNAALDH1A1HSD17B10
SCHEMBL29053739 0.60 ESR1 (0.43) LMNACA2ESR1ESR2ALDH1A1
SCHEMBL13923732 0.59 ESR1 (0.60) LMNACA2ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509938-A1 FTY720 HALOGENATED DERIVATIVES Novartis AG (CH) 2012-10-17 EP disclosed
US-20120244071-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US disclosed
US-20120244071-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US disclosed
US-20120244071-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US disclosed
EP-1622860-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORs NOVARTIS AG (CH) 2012-02-29 EP disclosed
WO-2011070066-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2011-06-16 WO disclosed
WO-2011070066-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2011-06-16 WO disclosed
US-7625950-B2 Mono phosphoric acid mono-{2-amino-2-hydroxymethyl-4-[4-(3-phenoxy-propoxy)-phenyl]-butyl} ester; treatment, prevention of diseases or disorders mediated by lymphocytes interactions in transplantation; anticarcinogenic agent, antiinflammatory agent, antiproliferative agent, antidiabetic agent NOVARTIS AG (CH) 2009-12-01 US disclosed
US-7612238-B2 Such as (R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoro-pentyloxy)-phenyl]-butan-1-ol hydrochloride for treatment of disorders or diseases mediated by lymphocytes, and for treating acute or chronic transplant rejection or T-cell-mediated inflammatory or autoimmune diseases NOVARTIS AG (CH) 2009-11-03 US disclosed
US-7612238-B2 Such as (R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoro-pentyloxy)-phenyl]-butan-1-ol hydrochloride for treatment of disorders or diseases mediated by lymphocytes, and for treating acute or chronic transplant rejection or T-cell-mediated inflammatory or autoimmune diseases NOVARTIS AG (CH) 2009-11-03 US disclosed
CN-100516024-C Amino-propanol derivatives NOVARTIS AG (CH) 2009-07-22 CN disclosed
US-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2006-09-21 US disclosed
US-20060166940-A1 Amino-propanol derivatives NOVARTIS AG (CH) 2006-07-27 US disclosed
EP-1660449-A1 AMINOPROPANOL DERIVATIVES Novartis AG (CH) 2006-05-31 EP disclosed
EP-1622860-A1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR Novartis AG (CH) 2006-02-08 EP disclosed
CN-1681770-A Amino-propanol derivatives NOVARTIS AG (CH) 2005-10-12 CN disclosed
EP-1539674-A1 AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2005-06-15 EP disclosed
WO-2005021503-A1 AMINOPROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-03-10 WO disclosed
WO-2004096752-A1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR NOVARTIS AG (CH) 2004-11-11 WO disclosed
WO-2004024673-A1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2004-03-25 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 (3 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-20060166940-A1 Amino-propanol derivatives ADRB1, ADRB3, ADRA1D LMNA 3370/4885CA2 4466/4885ESR1 948/4885
US-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 LMNA 2440/4885CA2 4146/4885ESR1 925/4885
US-20120244071-A1 FTY720 HALOGENATED DERIVATIVES S1PR1, S1PR3, S1PR2 LMNA 4349/4885CA2 4691/4885ESR1 2855/4885

“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.