SCHEMBL651360

SCHEMBL651360

O=C(OCC1(COC2C=CC=C3Oc4ncccc4C(=CCCN4CCC(O)(c5ccc(Cl)cc5)CC4)C=C32)CC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
OPRM1 P35372 3/20 0.33
CCR1 P32246 5/20 0.32
CCR3 P51677 4/20 0.32
OPRL1 P41146 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
ADRA1A P35348 1/20 0.31

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
SCHEMBL654912 0.90 CCR1 (0.33) DRD2OPRM1CCR1CCR3OPRL1
SCHEMBL654823 0.88 OPRM1 (0.35) DRD2OPRM1CCR1CCR3OPRL1
SCHEMBL658012 0.86 CCR1 (0.34) DRD2OPRM1CCR1OPRL1ADRA1A
SCHEMBL655978 0.86 DRD2 (0.33) DRD2OPRM1CCR1OPRL1SIGMAR1
SCHEMBL655810 0.85 DRD2 (0.34) DRD2OPRM1CCR1CCR3OPRL1
SCHEMBL654396 0.85 DRD2 (0.34) DRD2OPRM1CCR1CCR3OPRL1
SCHEMBL652352 0.85 CCR1 (0.33) DRD2OPRM1CCR1OPRL1SIGMAR1
SCHEMBL654333 0.85 DRD2 (0.36) DRD2OPRM1CCR1CCR3OPRL1
SCHEMBL654329 0.85 OPRM1 (0.34) DRD2OPRM1CCR1OPRL1SIGMAR1
SCHEMBL652813 0.85 ALDH1A1 (0.38) DRD2CCR1SIGMAR1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 US disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 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 (4 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 DRD2 3566/4885OPRM1 1015/4885CCR1 10/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885OPRM1 549/4885CCR1 9/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 DRD2 3542/4885OPRM1 443/4885CCR1 4/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885OPRM1 549/4885CCR1 9/4885

“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.