SCHEMBL749646

SCHEMBL749646

CNC(=O)c1coc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.42
HDAC8 Q9BY41 6/20 0.42
HDAC6 Q9UBN7 6/20 0.42
BAZ2B Q9UIF8 1/20 0.42
ITGAV P06756 1/20 0.41
PLK1 P53350 1/20 0.40
CNR1 P21554 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
BACE1 P56817 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
HPGD P15428 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL14844574 0.82 P2RX7 (0.49) HDAC1HDAC8HDAC6ITGAVGSK3B
SCHEMBL158296 0.80 HDAC1 (0.39) HDAC1HDAC8HDAC6BAZ2BPLK1
SCHEMBL13631423 0.79 ITGAV (0.50) HDAC1HDAC8HDAC6ITGAVCNR1
SCHEMBL23331083 0.79 HDAC1 (0.40) HDAC1HDAC8HDAC6ITGAVGSK3B
SCHEMBL13631425 0.79 NPC1 (0.43) HDAC1HDAC8HDAC6ITGAVCNR1
SCHEMBL21423708 0.78 FBP1 (0.49) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL749645 0.78 HDAC1 (0.38) HDAC1HDAC8HDAC6BAZ2BCNR1
SCHEMBL4480406 0.78 HDAC1 (0.38) HDAC1HDAC8HDAC6BAZ2BCNR1
SCHEMBL18236189 0.78 HDAC1 (0.45) HDAC1HDAC8HDAC6BAZ2BCNR1
SCHEMBL9792694 0.78 ITGAV (0.46) HDAC1HDAC8HDAC6ITGAVCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP claimed
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP claimed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP claimed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO claimed
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 US disclosed
WO-2023102140-A1 TMPRSS2 INHIBITORS AND METHODS OF USE TOPSPIN THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO., LTD. (JP) 2022-12-08 US disclosed
WO-2021132577-A1 ACYLSULFAMIDE COMPOUND AND PHARMACEUTICAL USE THEREFOR 日本たばこ産業株式会社 2021-07-01 WO disclosed
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 EP disclosed
EP-3233834-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2019-11-13 EP disclosed
US-10329558-B2 Method for producing compound containing heterocycle THE UNIVERSITY OF TOKYO (JP) 2019-06-25 US disclosed
WO-2019114666-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-06-20 WO disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 US disclosed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
WO-2010130944-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 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 (4 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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA HDAC1 1777/4885HDAC8 282/4885HDAC6 384/4885
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME BROX, CYP51A1, TBCD HDAC1 460/4885HDAC8 1453/4885HDAC6 788/4885
US-10329558-B2 Method for producing compound containing heterocycle VIP, DNPEP, PREP HDAC1 1589/4885HDAC8 2045/4885HDAC6 3147/4885
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 HDAC1 710/4885HDAC8 64/4885HDAC6 482/4885

“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.