SCHEMBL77466

SCHEMBL77466

[c]1cccc2c1OCCN2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM5 P41594 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
SCHEMBL5750764 0.89
SCHEMBL4087192 0.80
SCHEMBL17326877 0.73 ALDH1A1 (0.37) ALDH1A1GAAMAPTHSD17B10
SCHEMBL871100 0.69 ITGB2 (0.38) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL18229966 0.68 ALDH1A1 (0.33) ALDH1A1GAAMAPTHSD17B10
SCHEMBL8942627 0.67 GAA (0.55) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL56313 0.67 GAA (0.55) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL88894 0.67 GAA (0.55) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL871099 0.67 GAA (0.55) ALDH1A1GAAMAPTHSD17B10GRM5
SCHEMBL21462 0.67 ITGB2 (0.50) GAA

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 720 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 WO claimed
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-04 US claimed
WO-2014159214-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO claimed
US-20120220611-A1 1,3-BENZOXAZOLYL DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2012-08-30 US claimed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US claimed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP claimed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US claimed
EP-2146720-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP claimed
EP-2146722-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP claimed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP claimed
US-7528139-B2 Antitumor agents; N-[4-(4-amino-5-oxo-5H-pyrido[2,3-d]pyrimidin-8-yl)phenyl]-2,3-dichlorobenzenesulfonamide; inhibitors of tyrosine kinases, in particular TIE-2, and Raf kinases; sulfonamidation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-05-05 US claimed
WO-2008141081-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2008-11-20 WO claimed
WO-2008141082-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2008-11-20 WO claimed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO claimed
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
EP-4352055-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2024-04-17 EP disclosed
US-20240083829-A1 PROCESS FOR THE ASYMMETRIC SYNTHESIS OF ISOPIPERITENOL STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-03-14 US disclosed
US-20030166694-A1 Glycinamides MERCK PATENT GMBH (DE) 2003-09-04 US disclosed
WO-2002070471-A1 PHENYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISORDERS OR TUMOURS MERCK PATENT GMBH (DE) 2002-09-12 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (6 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-20240083829-A1 PROCESS FOR THE ASYMMETRIC SYNTHESIS OF ISOPIPERITENOL COASY, DHPS, GGPS1 ALDH1A1 2051/4885GAA 2942/4885MAPT 3202/4885
US-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP ALDH1A1 1182/4885GAA 2/4885MAPT 22/4885
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 1961/4885GAA 2145/4885MAPT 2439/4885
US-20120220611-A1 1,3-BENZOXAZOLYL DERIVATIVES AS KINASE INHIBITORS TIE1, FLT1, KDR ALDH1A1 702/4885GAA 2438/4885MAPT 2449/4885
US-20030166694-A1 Glycinamides F11, SERPINC1, F13A1 ALDH1A1 540/4885GAA 591/4885MAPT 4813/4885
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 ALDH1A1 559/4885GAA 100/4885MAPT 3029/4885

“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.