SCHEMBL12166804

SCHEMBL12166804

CC(C)(C)OC1CCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CYP19A1 P11511 1/20 0.32
EPHX1 P07099 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL190490 1.00 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL9623348 1.00 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL13696645 1.00 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL191513 0.97 ACHE (0.30) ACHE
Methane SCHEMBL29077722 0.94 CYP19A1 (0.32) CYP19A1NPC1
SCHEMBL2696797 0.91
SCHEMBL22959617 0.84
SCHEMBL21933618 0.84
SCHEMBL10202604 0.84
SCHEMBL11625556 0.82 CA1 (0.33) CA1CA2ACHECA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-20180072667-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS HAUSCH, FELIX (DE) 2018-03-15 US disclosed
US-9845292-B2 Selective FKBP51 ligands for treatment of psychiatric disorders MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-12-19 US disclosed
US-9845292-B2 Selective FKBP51 ligands for treatment of psychiatric disorders MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-12-19 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS HAUSCH, FELIX (DE) 2016-10-06 US disclosed
US-8748462-B2 Spirocyclic GPR40 modulators AMGEN INC. (US) 2014-06-10 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) WARNER-LAMBERT COMPANY LLC 2009-09-10 US disclosed
US-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) WARNER-LAMBERT COMPANY LLC 2009-09-10 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 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 (9 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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 CA1 4760/4885CA2 2000/4885ACHE 4395/4885
US-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION HAVCR2, AZI2, ZC3HAV1 CA1 4879/4885CA2 4876/4885ACHE 3958/4885
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS CA1 520/4885CA2 186/4885ACHE 2345/4885
US-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) PIK3CA, PIK3CD, PIK3R5 CA1 4846/4885CA2 4470/4885ACHE 3211/4885
US-20180072667-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP5, FKBP1A, FKBP3 CA1 4409/4885CA2 4872/4885ACHE 4329/4885
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 CA1 4260/4885CA2 1376/4885ACHE 4678/4885
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 CA1 4219/4885CA2 3680/4885ACHE 1512/4885
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP5, FKBP1A, FKBP1B CA1 4419/4885CA2 4871/4885ACHE 4550/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN CA1 3751/4885CA2 4495/4885ACHE 2557/4885

“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.