SCHEMBL2877553

SCHEMBL2877553

COC(=O)C1(c2cccc(C(C)(C)C)c2)CCC(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNA3 P22001 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HSD11B1 P28845 1/20 0.37
CTSD P07339 7/20 0.36
BACE1 P56817 7/20 0.36
CCR2 P41597 1/20 0.36
BDKRB1 P46663 1/20 0.35
CHRM3 P20309 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.34
ADAM17 P78536 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL2867480 0.85 CYP2C9 (0.48) CYP2C9CYP2C19TRPV1CCR2ACHE
SCHEMBL19500368 0.81 HSD11B1 (0.51) CYP2C9CYP2C19KCNA3HSD11B1BDKRB1
SCHEMBL15701118 0.75 SLC6A4 (0.51) TRPV1CCR2SLC6A2ADAM17HDAC4
SCHEMBL2870664 0.74 CYP2C9 (0.39) CYP2C9CYP2C19
SCHEMBL2875746 0.73 AKR1C1 (0.41) CYP2C9CYP2C19CCR2ACHE
SCHEMBL11228855 0.72 TACR1 (0.49) KCNA3CCR2ADAM17
SCHEMBL5878009 0.71 P2RY1 (0.43) KCNA3HSD11B1SLC6A2HRH3
SCHEMBL4872683 0.71 ADAM17 (0.52) SLC6A2ADAM17HDAC2
SCHEMBL12894223 0.71 OPRM1 (0.50) KCNA3CCR2CHRM3
Hydrochloric Acid SCHEMBL4815021 0.71 TACR1 (0.48) KCNA3CCR2

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 20 patents. 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-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
EP-1735293-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
EP-1734942-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
EP-1729755-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 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-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE 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
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD CYP2C9 3492/4885CYP2C19 3941/4885KCNA3 2830/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP CYP2C9 4156/4885CYP2C19 3946/4885KCNA3 3480/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE CYP2C9 3930/4885CYP2C19 4019/4885KCNA3 4574/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP CYP2C9 4156/4885CYP2C19 3946/4885KCNA3 3480/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP CYP2C9 4156/4885CYP2C19 3946/4885KCNA3 3480/4885

“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.