SCHEMBL654214

SCHEMBL654214

FC1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.68
SIGMAR1 Q99720 6/20 0.62
DRD4 P21917 4/20 0.61
DRD2 P14416 2/20 0.61
DRD3 P35462 2/20 0.61
OPRL1 P41146 3/20 0.54
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.50
OPRM1 P35372 1/20 0.50

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
SCHEMBL1513357 0.90 OPRL1 (0.65) CCR3SIGMAR1DRD4DRD2DRD3
SCHEMBL12175529 0.84 CCR3 (0.67) CCR3SIGMAR1DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL2588323 0.83 CCR3 (0.65) CCR3SIGMAR1DRD4DRD2DRD3
SCHEMBL653218 0.81 CCR3 (1.00) CCR3SIGMAR1DRD4DRD2DRD3
SCHEMBL654066 0.81 CCR3 (0.68) CCR3SIGMAR1DRD4DRD2DRD3
Bromide SCHEMBL28537686 0.79 CCR3 (0.94) CCR3SIGMAR1DRD4DRD2DRD3
SCHEMBL12175487 0.79 OPRL1 (0.72) DRD4DRD2DRD3OPRL1OPRM1
SCHEMBL12175551 0.78 CCR3 (0.50) CCR3SIGMAR1DRD4DRD2DRD3
SCHEMBL14713275 0.78 CCR3 (0.47) CCR3DRD4DRD2DRD3OPRL1
SCHEMBL2918565 0.78 SIGMAR1 (0.65) CCR3SIGMAR1DRD4OPRL1CYP3A4

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 41 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-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 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-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-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-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
EP-2286811-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2012-09-05 EP disclosed
US-6503926-B2 Nitrogen heterocycle compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-01-07 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-20020161005-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-10-31 US disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
EP-1204640-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
EP-1204664-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
EP-1202985-A2 CHEMOKINE RECEPTOR ANTAGONISTS Millennium Pharmaceuticals, Inc. (US) 2002-05-08 EP disclosed
WO-2001009094-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-2001009137-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-2001009119-A2 CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 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 (5 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 CCR3 19/4885SIGMAR1 740/4885DRD4 4403/4885
US-20020161005-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 CCR3 19/4885SIGMAR1 731/4885DRD4 4368/4885
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 CCR3 16/4885SIGMAR1 2424/4885DRD4 4368/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR3 12/4885SIGMAR1 483/4885DRD4 3686/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR3 12/4885SIGMAR1 483/4885DRD4 3686/4885

“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.