SCHEMBL819942

SCHEMBL819942

Cc1ccc(CN(C(C)C)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PYCR1 P32322 1/20 0.48
CNR2 P34972 3/20 0.42
IDO1 P14902 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGXT P21549 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL26267232 0.90 HDAC1 (0.59) HDAC1HDAC8HDAC6PYCR1SLC6A2
SCHEMBL6566766 0.82 HPGD (0.42) HDAC1HDAC8HDAC6PYCR1CNR2
SCHEMBL8252038 0.81 HDAC1 (0.52) HDAC1HDAC8HDAC6PYCR1MAPT
SCHEMBL2483550 0.79 HDAC1 (0.55) HDAC1HDAC8HDAC6SLC6A2SLC6A4
SCHEMBL13588644 0.79 PYCR1 (0.47) PYCR1CNR2IDO1CYP2C19SLC6A2
SCHEMBL3146362 0.79 HDAC1 (0.50) HDAC1HDAC8HDAC6PYCR1MAPT
SCHEMBL1639815 0.79 HDAC1 (0.55) HDAC1HDAC8HDAC6PYCR1CYP1A2
SCHEMBL608453 0.78 TSHR (0.54) HDAC1HDAC8HDAC6PYCR1SLC6A2
SCHEMBL16312619 0.77 PYCR1 (0.65) PYCR1IDO1CYP2C19CYP1A2CYP2A6
SCHEMBL13765286 0.77 HDAC8 (0.57) HDAC1HDAC8HDAC6PYCR1MAPT

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-9856182-B2 Radiofluorination method TECHNICAL UNIVERSITY OF DENMARK (DK) 2018-01-02 US disclosed
US-9243004-B2 Synthesis of boronic esters and boronic acids using grignard reagents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-01-26 US disclosed
US-9234256-B2 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2016-01-12 US disclosed
US-20150299066-A1 RADIOFLUORINATION METHOD TECHNICAL UNIVERSITY OF DENMARK (DK) 2015-10-22 US disclosed
US-20150119580-A1 SYNTHESIS OF BORONIC ESTERS AND BORONIC ACIDS USING GRIGNARD REAGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-30 US disclosed
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-02-27 US disclosed
US-8652335-B2 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2014-02-18 US disclosed
US-20120316120-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-12-13 US disclosed
US-20120211439-A1 SCAVENGER SUPPORTS AND THE USE THEREOF IN A PROCESS FOR THE EXTRACTION OF METALS JOHNSON MATTHEY FINLAND OY (FI) 2012-08-23 US disclosed
US-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-06-14 US disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 US disclosed
US-20090023604-A1 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2009-01-22 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP 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 (7 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-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS HDAC1 2411/4885HDAC8 1827/4885HDAC6 984/4885
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 HDAC1 1543/4885HDAC8 2397/4885HDAC6 430/4885
US-20150299066-A1 RADIOFLUORINATION METHOD PFAS, PHOSPHO1, ARFGEF1 HDAC1 3948/4885HDAC8 3989/4885HDAC6 3510/4885
US-20150119580-A1 SYNTHESIS OF BORONIC ESTERS AND BORONIC ACIDS USING GRIGNARD REAGENTS AGL, DBF4, ME1 HDAC1 4196/4885HDAC8 2145/4885HDAC6 4581/4885
US-20120316120-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS HDAC1 2411/4885HDAC8 1827/4885HDAC6 984/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 HDAC1 1543/4885HDAC8 2397/4885HDAC6 430/4885
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS HDAC1 2411/4885HDAC8 1827/4885HDAC6 984/4885

“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.