SCHEMBL6325800

SCHEMBL6325800

CCc1ccc2c(c1)C(O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
DRD1 P21728 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
UGT2B17 O75795 2/20 0.40
CYP2D6 P10635 1/20 0.39
CHRM4 P08173 2/20 0.38
HTR7 P34969 2/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
KDM4C Q9H3R0 2/20 0.37
OPRD1 P41143 2/20 0.37
QPCT Q16769 1/20 0.37
PGR P06401 1/20 0.36
TRPA1 O75762 1/20 0.36
KCNA5 P22460 1/20 0.36
ACHE P22303 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
SCHEMBL3170918 1.00 DRD2 (0.43) DRD2DRD1NPC1RAB9ACTSD
SCHEMBL8307806 0.90 DRD2 (0.48) DRD2DRD1NPC1RAB9ACTSD
SCHEMBL20841104 0.87 OPRD1 (0.47) DRD2DRD1NPC1RAB9AUGT2B17
SCHEMBL1346504 0.83 BACE1 (0.39) DRD2BACE1UGT2B17CHRM4HTR7
SCHEMBL23789054 0.83 UGT2B17 (0.37) DRD2UGT2B17CHRM4HTR7ESR1
SCHEMBL5713886 0.81 DRD2 (0.41) DRD2DRD1NPC1RAB9ACTSD
SCHEMBL6330755 0.80 ACHE (0.50) DRD2DRD1NPC1RAB9ACTSD
SCHEMBL8281689 0.80 ACHE (0.50) DRD2DRD1NPC1RAB9ACTSD
Hydrochloric Acid SCHEMBL3171185 0.79 ACHE (0.49) DRD2DRD1CTSDBACE1CYP2D6
SCHEMBL8312130 0.78 CTSD (0.47) DRD2DRD1NPC1RAB9ACTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541126-B1 Anti-ASGR1 antibody TLR8 agonist comprising conjugates and uses thereof SILVERBACK THERAPEUTICS, INC. (US) 2023-01-03 US disclosed
US-20200031798-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF ARS Pharmaceuticals, Inc. 2020-01-30 US disclosed
US-10442790-B2 Benzazepine compounds, conjugates, and uses thereof SILVERBACK THERAPEUTICS, INC. (US) 2019-10-15 US disclosed
US-9090619-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-28 US disclosed
US-20140343315-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2014-11-20 US disclosed
US-20140155431-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US disclosed
US-20130011923-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-8242149-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-14 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-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080207696-A1 Phenacyl 2-Hydroxy-3-Diaminoalkanes AQUINO JOSE 2008-08-28 US disclosed
CN-100384824-C Acetyl 2-hydroxy-1, 3-diaminoalkanes PHARMACIA & UPJOHN CO LLC (US) 2008-04-30 CN disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
CN-1694870-A Acetyl 2-hydroxy-1, 3-diaminoalkanes PHARMACIA & UPJOHN CO LLC (US) 2005-11-09 CN disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2004094413-A1 PHENACYL 2-HYDROXY-3-DIAMINOALKANES ELAN PHARMACEUTICALS, INC. (US) 2004-11-04 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 (10 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-20140343315-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 DRD2 4680/4885DRD1 4761/4885NPC1 28/4885
US-20140155431-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DRD2 4680/4885DRD1 4761/4885NPC1 28/4885
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP DRD2 2640/4885DRD1 2102/4885NPC1 1553/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 DRD2 4668/4885DRD1 4760/4885NPC1 29/4885
US-10442790-B2 Benzazepine compounds, conjugates, and uses thereof TLR8, TLR3, TLR5 DRD2 327/4885DRD1 866/4885NPC1 1453/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 DRD2 4885/4885DRD1 4863/4885NPC1 1393/4885
US-20080207696-A1 Phenacyl 2-Hydroxy-3-Diaminoalkanes APP, PSEN1, BACE2 DRD2 4127/4885DRD1 4016/4885NPC1 1874/4885
US-20200031798-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF TLR8, TLR3, TLR5 DRD2 327/4885DRD1 866/4885NPC1 1453/4885
US-11541126-B1 Anti-ASGR1 antibody TLR8 agonist comprising conjugates and uses thereof ASGR1, TLR8, HAVCR2 DRD2 2483/4885DRD1 2531/4885NPC1 1977/4885
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP DRD2 2640/4885DRD1 2102/4885NPC1 1553/4885

“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.