SCHEMBL655811

SCHEMBL655811

CCOc1cccc2c1CC(=CCCN1CCC(O)(c3ccc(Cl)cc3)CC1)c1cccnc1O2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.41
DRD2 P14416 10/20 0.39
CCR1 P32246 4/20 0.37
DRD3 P35462 2/20 0.37
HTR2A P28223 2/20 0.37
HTR1A P08908 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL655809 1.00 SSTR5 (0.41) SSTR5DRD2CCR1DRD3HTR2A
SCHEMBL651689 0.94 DRD2 (0.38) SSTR5DRD2CCR1DRD3HTR2A
SCHEMBL651687 0.94 DRD2 (0.38) SSTR5DRD2CCR1DRD3HTR2A
SCHEMBL653231 0.93 DRD2 (0.42) DRD2CCR1DRD3HTR2AHTR1A
SCHEMBL653229 0.93 DRD2 (0.42) DRD2CCR1DRD3HTR2AHTR1A
SCHEMBL7976295 0.92 CCR1 (0.40) DRD2CCR1DRD3HTR2AHTR1A
SCHEMBL7976289 0.92 CCR1 (0.40) DRD2CCR1DRD3HTR2AHTR1A
SCHEMBL654083 0.92 ADRA2A (0.40) DRD2CCR1DRD3HTR2AHTR1A
SCHEMBL654085 0.92 ADRA2A (0.40) DRD2CCR1DRD3HTR2AHTR1A
SCHEMBL653881 0.92 DRD2 (0.37) DRD2CCR1

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 20 patents. 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-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
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-03-06 US disclosed
US-6509346-B2 Antiinflammatory agents MILLENNIUM PHARMACEUTICALS, INC. 2003-01-21 US disclosed
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 US disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
US-6329385-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, VIRAL DISEASES AND GASTROINTESTINAL DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2001-12-11 US 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 (9 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-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 SSTR5 2849/4885DRD2 3688/4885CCR1 10/4885
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation NFATC1, ELANE, NCF1 SSTR5 4614/4885DRD2 4501/4885CCR1 9/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 SSTR5 2669/4885DRD2 3566/4885CCR1 10/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SSTR5 1601/4885DRD2 3118/4885CCR1 9/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SSTR5 1601/4885DRD2 3118/4885CCR1 9/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 SSTR5 1633/4885DRD2 3542/4885CCR1 4/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SSTR5 1601/4885DRD2 3118/4885CCR1 9/4885
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor CCL11, ACKR3, CXCR4 SSTR5 3012/4885DRD2 3720/4885CCR1 10/4885
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 SSTR5 3516/4885DRD2 1061/4885CCR1 19/4885

“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.