SCHEMBL654494

SCHEMBL654494

CN(C(N)=O)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.58
HSD11B1 P28845 1/20 0.54
GPR119 Q8TDV5 6/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
HPGD P15428 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL19026787 0.91 GPR119 (0.52) USP30GPR119HPGDMEN1KMT2A
SCHEMBL1780697 0.87 USP30 (0.59) USP30HSD11B1GPR119JAK2JAK1
SCHEMBL21285788 0.87 HSD11B1 (0.69) USP30HSD11B1GPR119JAK2JAK1
SCHEMBL1624330 0.87 USP30 (0.62) USP30HSD11B1GPR119JAK2JAK1
SCHEMBL4018727 0.87 USP30 (0.62) USP30HSD11B1GPR119JAK2JAK1
SCHEMBL14331976 0.87 USP30 (0.59) USP30HSD11B1GPR119JAK2JAK1
SCHEMBL13934774 0.87 USP30 (0.59) USP30HSD11B1GPR119JAK2JAK1
SCHEMBL21782989 0.85 USP30 (0.58) USP30HSD11B1GPR119JAK2JAK1
SCHEMBL12071952 0.84 USP30 (0.57) USP30HSD11B1GPR119JAK2JAK1
SCHEMBL2499421 0.84 USP30 (0.57) USP30HSD11B1GPR119JAK2JAK1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114118-B1 P-SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2020-07-22 EP disclosed
US-9926337-B2 Substituted asymmetric ureas as modulators of ghrelin receptor activity HELSINN HEALTHCARE SA (CH) 2018-03-27 US disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20170145038-A1 SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-05-25 US disclosed
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 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-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 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 (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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 USP30 4370/4885HSD11B1 589/4885GPR119 199/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 USP30 3894/4885HSD11B1 729/4885GPR119 179/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 USP30 3894/4885HSD11B1 729/4885GPR119 179/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 USP30 4174/4885HSD11B1 352/4885GPR119 150/4885
US-20170145038-A1 SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GHSR, GPR119 USP30 458/4885HSD11B1 1567/4885GPR119 3/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 USP30 3894/4885HSD11B1 729/4885GPR119 179/4885
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 USP30 3576/4885HSD11B1 681/4885GPR119 698/4885

“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.