SCHEMBL2869702

SCHEMBL2869702

CCCc1[nH]nc(C(=O)OCC)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.44
PDE4D Q08499 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM5B Q9UGL1 1/20 0.39
HCAR2 Q8TDS4 4/20 0.39
ALPL P05186 1/20 0.39
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR9 Q9NR96 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 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
SCHEMBL28835650 0.87 HCAR2 (0.49) KDM4EPOLBPDE4DL3MBTL1KDM5B
SCHEMBL9941259 0.80 KDM4E (0.50) KDM4EPOLBPDE4DL3MBTL1KDM5B
SCHEMBL2846088 0.80 HCAR2 (0.59) KDM4EPOLBPDE4DL3MBTL1KDM5B
SCHEMBL17224170 0.80 HCAR2 (0.55) HCAR2
SCHEMBL23112395 0.74 KDM4E (0.48) KDM4EPOLBPDE4DMAPTALDH1A1
SCHEMBL30068716 0.74 PDE4D (0.67) KDM4EPOLBPDE4DL3MBTL1MAPT
SCHEMBL3463424 0.74 KDM4E (0.44) KDM4EPOLBPDE4DL3MBTL1KDM5B
SCHEMBL9025212 0.73 HCAR2 (0.66) KDM4EPOLBPDE4DL3MBTL1HCAR2
SCHEMBL2875808 0.73 PDE4D (0.44) KDM4EPDE4DL3MBTL1ALPLMAPT
SCHEMBL5763853 0.73 KDM4E (0.47) KDM4EPOLBPDE4DL3MBTL1MAPT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
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-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 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-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 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 (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-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 KDM4E 3526/4885POLB 3493/4885PDE4D 3600/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 KDM4E 3949/4885POLB 2884/4885PDE4D 2673/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 KDM4E 3949/4885POLB 2884/4885PDE4D 2673/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 KDM4E 3526/4885POLB 3493/4885PDE4D 3600/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 KDM4E 3949/4885POLB 2884/4885PDE4D 2673/4885

“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.