SCHEMBL2875808

SCHEMBL2875808

CCCc1n[nH]c(C(=O)OCC)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.44
HSD17B10 Q99714 2/20 0.43
CDC25B P30305 1/20 0.42
HSP90AA1 P07900 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 5/20 0.40
ALPL P05186 1/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL17294915 0.83 HCAR2 (0.42) ALDH1A1ALPLHTTSMN1; SMN2
SCHEMBL1456845 0.83 HSD17B10 (0.43) PDE4DHSD17B10CDC25BHSP90AA1CYP1A2
SCHEMBL2874155 0.80 PDE4D (0.58) PDE4DHSD17B10CDC25BCYP1A2CYP2C9
SCHEMBL1455493 0.79 L3MBTL1 (0.45) PDE4DHSD17B10HSP90AA1CYP1A2CYP2C9
SCHEMBL9941259 0.78 KDM4E (0.50) PDE4DHSD17B10CDC25BCYP1A2CYP2C9
SCHEMBL23112395 0.75 KDM4E (0.48) PDE4DHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL12092823 0.75 MAPT (0.47) PDE4DHSD17B10CDC25BCYP1A2CYP2C9
SCHEMBL28802616 0.75 CYP1A2 (0.49) PDE4DHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL17479555 0.74 HCAR2 (0.42) PDE4DHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL13682657 0.73 KDM4E (0.49) PDE4DHSD17B10CDC25BCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 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 (6 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 PDE4D 3600/4885HSD17B10 3223/4885CDC25B 3126/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 PDE4D 3600/4885HSD17B10 3223/4885CDC25B 3126/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 PDE4D 2673/4885HSD17B10 3449/4885CDC25B 3110/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 PDE4D 2673/4885HSD17B10 3449/4885CDC25B 3110/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 PDE4D 3600/4885HSD17B10 3223/4885CDC25B 3126/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 PDE4D 2673/4885HSD17B10 3449/4885CDC25B 3110/4885

“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.