SCHEMBL2877447

SCHEMBL2877447

CC(C)(C)Cc1ccc2c(c1)C(O)CCN2C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
OPRK1 P41145 1/20 0.42
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
HTR2C P28335 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
FKBP1A P62942 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CACNA1G O43497 1/20 0.38

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
SCHEMBL2877449 1.00 NPC1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2OPRK1
SCHEMBL5714049 1.00 NPC1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2OPRK1
Alcohol SCHEMBL5714298 0.97 NPC1 (0.45) NPC1RAB9AL3MBTL1SMN1; SMN2OPRK1
SCHEMBL3168426 0.89 NPC1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2OPRK1
SCHEMBL5714146 0.89 NPC1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2OPRK1
SCHEMBL2877614 0.88 NPC1 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2OPRK1
SCHEMBL2867493 0.88 NPC1 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2OPRK1
SCHEMBL981565 0.84 NPC1 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2CYP2C19
SCHEMBL2173894 0.84 NPC1 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2CYP2C19
SCHEMBL2172049 0.84 NPC1 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US disclosed
EP-1565443-A4 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARM INC (US) 2007-07-18 EP disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
EP-1565443-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES Elan Pharmaceuticals, Inc. (US) 2005-08-24 EP disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 US disclosed
WO-2004024081-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARMACEUTICALS, INC. (US) 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 (7 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-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP NPC1 1553/4885RAB9A 3269/4885L3MBTL1 1660/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP NPC1 1518/4885RAB9A 2645/4885L3MBTL1 760/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP NPC1 1381/4885RAB9A 2778/4885L3MBTL1 1656/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 NPC1 1393/4885RAB9A 3113/4885L3MBTL1 1359/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP NPC1 1518/4885RAB9A 2645/4885L3MBTL1 760/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP NPC1 1518/4885RAB9A 2645/4885L3MBTL1 760/4885
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP NPC1 1553/4885RAB9A 3269/4885L3MBTL1 1660/4885

“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.