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SCHEMBL655144

SCHEMBL655144

O=C(O)C(CO)Oc1cccc2c1C/C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)CC1)c1cccnc1O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 14/20 0.37
▸ OPRM1 P35372 4/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ ADRA1A P35348 3/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ ABCB11 O95342 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ ADRB2 P07550 2/20 0.34
▸ CHRM2 P08172 2/20 0.34
▸ ABCB1 P08183 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ DRD1 P21728 2/20 0.34
▸ DRD4 P21917 2/20 0.34

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
SCHEMBL655146 1.00 DRD2 (0.37) DRD2OPRM1OPRL1ADRA1ACCR1
SCHEMBL652895 0.91 DRD2 (0.38) DRD2OPRM1OPRL1ADRA1ACCR1
SCHEMBL652893 0.91 DRD2 (0.38) DRD2OPRM1OPRL1ADRA1ACCR1
SCHEMBL654339 0.89 DRD2 (0.38) DRD2OPRM1OPRL1CCR1HTR1A
SCHEMBL654337 0.89 DRD2 (0.38) DRD2OPRM1OPRL1CCR1HTR1A
SCHEMBL654822 0.88 DRD2 (0.40) DRD2OPRM1OPRL1ADRA1ACCR1
SCHEMBL654824 0.88 DRD2 (0.40) DRD2OPRM1OPRL1ADRA1ACCR1
SCHEMBL654375 0.87 CCR1 (0.36) DRD2ADRA1ACCR1
SCHEMBL654373 0.87 CCR1 (0.36) DRD2ADRA1ACCR1
SCHEMBL654083 0.87 ADRA2A (0.40) DRD2OPRM1OPRL1CCR1HTR1A

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 14 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
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

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-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 DRD2 4501/4885OPRM1 1856/4885OPRL1 585/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 DRD2 3566/4885OPRM1 1015/4885OPRL1 151/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885OPRM1 549/4885OPRL1 106/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885OPRM1 549/4885OPRL1 106/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 DRD2 3542/4885OPRM1 443/4885OPRL1 86/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885OPRM1 549/4885OPRL1 106/4885
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 DRD2 1061/4885OPRM1 268/4885OPRL1 236/4885

“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.