SCHEMBL2083372

SCHEMBL2083372

[C]1c2ccccc2CC1c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
SLC6A4 P31645 8/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 4/20 0.40
MTNR1A P48039 2/20 0.40
IDO1 P14902 1/20 0.40
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
MTNR1B P49286 1/20 0.34
DRD2 P14416 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4931080 0.84 CYP1A2 (0.40) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL11403650 0.78 KDM1A (0.45) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL8630503 0.71 PRCP (0.37) KDM1ACYP2D6CYP2C19
SCHEMBL10685434 0.69 IDO1 (0.53) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL248440 0.64 SLC6A4 (0.59) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL30477104 0.64 SLC6A4 (0.59) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL10971055 0.64 MTNR1A (0.43) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL4019122 0.63 KDM1A (0.42) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL28764771 0.63 GSK3B (0.48) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL562292 0.63 MTNR1A (0.58) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249139-A1 Benzamide 2-hydroxy-3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2008-10-09 US claimed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US claimed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP claimed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US claimed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO claimed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 US claimed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 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 (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-20080249139-A1 Benzamide 2-hydroxy-3-diaminoalkanes BACE2, BACE1, APP KDM1A 1440/4885SLC6A4 3979/4885SLC6A2 3125/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP KDM1A 1864/4885SLC6A4 4627/4885SLC6A2 4587/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK KDM1A 1069/4885SLC6A4 4623/4885SLC6A2 4703/4885
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP KDM1A 1940/4885SLC6A4 4501/4885SLC6A2 4538/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 KDM1A 708/4885SLC6A4 4758/4885SLC6A2 4780/4885

“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.