SCHEMBL4897768

SCHEMBL4897768

CC(C)(C)Cc1ccc2c(c1)C(=O)CCC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.51
MAOB P27338 14/20 0.51
CYP2A6 P11509 1/20 0.44
PRKCI P41743 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PBRM1 Q86U86 1/20 0.39
BAZ2B Q9UIF8 1/20 0.37
IL4I1 Q96RQ9 1/20 0.36
HSD17B1 P14061 1/20 0.36

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
SCHEMBL23397539 0.90 PBRM1 (0.49) MAOAMAOBPBRM1IL4I1HSD17B1
SCHEMBL5713737 0.82 MAOA (0.37) MAOAMAOBMEN1KMT2A
SCHEMBL11949158 0.82 MAOA (0.52) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL23290041 0.82 MAOA (0.44) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL3171240 0.81 MAOA (0.55) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL28240683 0.79 ESR1 (0.42) MEN1KMT2A
SCHEMBL12678151 0.78 MAOA (0.55) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL10523260 0.77 MAOA (0.48) MAOAMAOBCYP2A6
SCHEMBL1344667 0.75 MAOA (0.49) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL14469651 0.75 MAOA (0.49) MAOAMAOBCYP2A6PRKCIMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 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-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-20080103176-A1 Substituted Hydroxyethylamines PFIZER INC. 2008-05-01 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-1853553-A1 SUBSTITUTED HYDROXYETHYLAMINES Pfizer Products Incorporated (US) 2007-11-14 EP disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
WO-2006085216-A1 SUBSTITUTED HYDROXYETHYLAMINES PFIZER PRODUCTS INC. (US) 2006-08-17 WO disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MAOA 247/4885MAOB 399/4885CYP2A6 2063/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 MAOA 2100/4885MAOB 1516/4885CYP2A6 3888/4885
US-20080103176-A1 Substituted Hydroxyethylamines BACE1, BACE2, PSEN1 MAOA 175/4885MAOB 350/4885CYP2A6 626/4885
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP MAOA 247/4885MAOB 399/4885CYP2A6 2063/4885

“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.