SCHEMBL653124

SCHEMBL653124

COc1cccc2c1CC(=CCC=O)c1cccnc1O2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.40
TP53 P04637 1/20 0.35
HTR1A P08908 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TYR P14679 1/20 0.33
AURKA O14965 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
MIF P14174 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL653122 1.00 CYP19A1 (0.40) CYP19A1TP53HTR1ASIGMAR1NPC1
SCHEMBL653922 0.86 HTR1A (0.38) CYP19A1TP53HTR1ASIGMAR1TYR
SCHEMBL653920 0.86 HTR1A (0.38) CYP19A1TP53HTR1ASIGMAR1TYR
SCHEMBL653850 0.82 CYP19A1 (0.42) CYP19A1TP53TYRAURKAMAOB
SCHEMBL654882 0.81 SIGMAR1 (0.52) HTR1ASIGMAR1
SCHEMBL655182 0.80 CYP19A1 (0.40) CYP19A1TP53AURKAMAPTLMNA
SCHEMBL652569 0.80 CYP19A1 (0.35) CYP19A1TP53AURKAACHE
SCHEMBL652340 0.78 SIGMAR1 (0.45) HTR1ASIGMAR1
SCHEMBL652338 0.78 SIGMAR1 (0.45) HTR1ASIGMAR1
SCHEMBL653848 0.77 CYP19A1 (0.35) CYP19A1TP53AURKAMAPTLMNA

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 22 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-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
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
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 (8 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 3268/4885TP53 4029/4885HTR1A 2751/4885
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 2804/4885TP53 2534/4885HTR1A 4432/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 CYP19A1 3948/4885TP53 4386/4885HTR1A 3034/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CYP19A1 4151/4885TP53 4209/4885HTR1A 2643/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CYP19A1 4151/4885TP53 4209/4885HTR1A 2643/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 CYP19A1 2829/4885TP53 4441/4885HTR1A 2285/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CYP19A1 4151/4885TP53 4209/4885HTR1A 2643/4885
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor CCL11, ACKR3, CXCR4 CYP19A1 3221/4885TP53 4071/4885HTR1A 2715/4885

“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.