SCHEMBL653850

SCHEMBL653850

COc1cccc2c1CC(=CC=C=O)c1cccnc1O2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.42
TYR P14679 1/20 0.35
TP53 P04637 1/20 0.33
ACHE P22303 2/20 0.33
AURKA O14965 1/20 0.33
MAOB P27338 1/20 0.32
MIF P14174 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 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
SCHEMBL653124 0.82 CYP19A1 (0.40) CYP19A1TYRTP53ACHEAURKA
SCHEMBL653122 0.82 CYP19A1 (0.40) CYP19A1TYRTP53ACHEAURKA
SCHEMBL652569 0.79 CYP19A1 (0.35) CYP19A1TP53ACHEAURKACA1
SCHEMBL655182 0.79 CYP19A1 (0.40) CYP19A1TP53ACHEAURKA
SCHEMBL653920 0.79 HTR1A (0.38) CYP19A1TYRTP53AURKA
SCHEMBL653922 0.79 HTR1A (0.38) CYP19A1TYRTP53AURKA
SCHEMBL653848 0.79 CYP19A1 (0.35) CYP19A1TP53ACHEAURKA
SCHEMBL655829 0.72 KDM4E (0.39)
SCHEMBL654882 0.72 SIGMAR1 (0.52)
SCHEMBL652338 0.71 SIGMAR1 (0.45)

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
EP-1049700-B9 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARM INC (US) 2006-05-10 EP disclosed
EP-1049700-B1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARM INC (US) 2005-11-09 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-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 CYP19A1 3268/4885TYR 4541/4885TP53 4029/4885
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 CYP19A1 2804/4885TYR 3673/4885TP53 2534/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 CYP19A1 3948/4885TYR 4535/4885TP53 4386/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CYP19A1 4151/4885TYR 3922/4885TP53 4209/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CYP19A1 4151/4885TYR 3922/4885TP53 4209/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 CYP19A1 2829/4885TYR 3738/4885TP53 4441/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CYP19A1 4151/4885TYR 3922/4885TP53 4209/4885
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor CCL11, ACKR3, CXCR4 CYP19A1 3221/4885TYR 4524/4885TP53 4071/4885
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 CYP19A1 2907/4885TYR 655/4885TP53 3676/4885

“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.