SCHEMBL653759

SCHEMBL653759

COC(=O)C1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
STS P08842 2/20 0.49
CNR1 P21554 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL1017433 1.00 MEN1 (0.50) MEN1KMT2ASTSCNR1NPSR1
SCHEMBL20141913 0.88 HDAC1 (0.46) MEN1KMT2AMAPTMMP1MMP3
SCHEMBL21340083 0.88 HDAC1 (0.46) MEN1KMT2AMAPTMMP1MMP3
SCHEMBL20142381 0.88 GPR119 (0.52) MMP1MMP3MMP7MMP9ALDH1A1
SCHEMBL21360316 0.88 GPR119 (0.52) MMP1MMP3MMP7MMP9ALDH1A1
SCHEMBL16731904 0.88 GPR119 (0.52) MMP1MMP3MMP7MMP9ALDH1A1
SCHEMBL4928657 0.87 NR1H2 (0.48) STSCNR1HTTSMN1; SMN2TP53
SCHEMBL13923464 0.86 MAPT (0.52) STSCNR1MAPTMMP1MMP3
SCHEMBL38661200 0.86 USP30 (0.47) MMP1MMP3MMP7MMP9ALDH1A1
SCHEMBL3070042 0.85 PDE4B (0.46) MEN1KMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9630929-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2017-04-25 US disclosed
US-9630929-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2017-04-25 US disclosed
US-9630929-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2017-04-25 US disclosed
EP-2773637-B1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2016-06-08 EP disclosed
EP-2773637-B1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2016-06-08 EP disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-20140296245-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2014-10-02 US disclosed
US-20140296245-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2014-10-02 US disclosed
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2286811-A1 Chemokine receptor antagonists and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 US disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 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
EP-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 MEN1 4167/4885KMT2A 4480/4885STS 3231/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MEN1 4716/4885KMT2A 4568/4885STS 2056/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 MEN1 4609/4885KMT2A 4640/4885STS 1843/4885
US-20140296245-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV1, TRPA1, TRPV3 MEN1 3078/4885KMT2A 3464/4885STS 115/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MEN1 4716/4885KMT2A 4568/4885STS 2056/4885
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 MEN1 4673/4885KMT2A 1082/4885STS 3302/4885

“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.