SCHEMBL656294

SCHEMBL656294

CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
PARP1 P09874 1/20 0.42
UCHL1 P09936 1/20 0.41
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
CASP1 P29466 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
POLB P06746 1/20 0.38
AGTR2 P50052 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 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
SCHEMBL13837003 1.00 BACE1 (0.45) BACE1PARP1UCHL1FABP5FABP7
SCHEMBL31740710 1.00 BACE1 (0.45) BACE1PARP1UCHL1FABP5FABP7
SCHEMBL7054647 1.00 BACE1 (0.45) BACE1PARP1UCHL1FABP5FABP7
SCHEMBL29695390 0.96 BACE1 (0.47) BACE1PARP1UCHL1FABP5FABP7
SCHEMBL31210309 0.96 BACE1 (0.47) BACE1PARP1UCHL1FABP5FABP7
SCHEMBL7725852 0.96 BACE1 (0.47) BACE1PARP1UCHL1FABP5FABP7
SCHEMBL30185798 0.96 BACE1 (0.47) BACE1PARP1UCHL1FABP5FABP7
SCHEMBL5190569 0.96 BACE1 (0.47) BACE1PARP1UCHL1FABP5FABP7
SCHEMBL652744 0.90 NR1H2 (0.48) BACE1PARP1UCHL1FABP5FABP7
SCHEMBL2732332 0.89 BACE1 (0.43) BACE1PARP1FABP5FABP7CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
EP-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
EP-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
US-10913769-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2021-02-09 US disclosed
US-10875851-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-29 US disclosed
US-10875851-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-29 US disclosed
US-20190352294-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2019-11-21 US disclosed
US-20190352294-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2019-11-21 US disclosed
US-10017536-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 US disclosed
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 EP disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-09-23 US disclosed
US-6759411-B2 ANTIHISTAMINES, ANTIALLERGENS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-07-06 US disclosed
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US disclosed
US-6331545-B1 TREATING ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, AND INFLAMMATORY BOWEL DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 US disclosed
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
US-6294539-B1 METALLOCENE ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND ANTIARTHRITIC AGENTS ADVANCED SYNTECH, LLC 2001-09-25 US disclosed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 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 (8 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-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 BACE1 4665/4885PARP1 3114/4885UCHL1 4808/4885
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 BACE1 4665/4885PARP1 3114/4885UCHL1 4808/4885
US-10875851-B2 Factor XIIa inhibitors F11, F13B, SERPINC1 BACE1 1101/4885PARP1 1463/4885UCHL1 3518/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 BACE1 3839/4885PARP1 4026/4885UCHL1 4274/4885
US-10913769-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 BACE1 343/4885PARP1 4208/4885UCHL1 1140/4885
US-20190352294-A1 Factor XIIa Inhibitors F11, F13B, SERPINC1 BACE1 1101/4885PARP1 1463/4885UCHL1 3518/4885
US-10017536-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 BACE1 343/4885PARP1 4208/4885UCHL1 1140/4885
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS BACE1 3947/4885PARP1 1645/4885UCHL1 3927/4885

“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.