SCHEMBL2875560

SCHEMBL2875560

FC(F)(F)c1[nH]nc(-c2ccccc2)c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 2/20 0.56
KCNJ11 Q14654 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CNR1 P21554 1/20 0.48
NR2F2 P24468 1/20 0.48
CNR2 P34972 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
GYS1 P13807 1/20 0.48
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DCLK1 O15075 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
CSF1R P07333 1/20 0.44
FER P16591 1/20 0.44

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
SCHEMBL1554819 0.84 GYS1 (0.49) ABCC8KCNJ11GYS1SMN1; SMN2ALDH1A1
SCHEMBL13715761 0.79 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1MAPTMEN1
SCHEMBL12273674 0.79 L3MBTL1 (0.60) ABCC8KCNJ11L3MBTL1MAPTMEN1
SCHEMBL2374709 0.79 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1MAPTMEN1
SCHEMBL13715627 0.79 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1MAPTMEN1
SCHEMBL28816225 0.76 MAP2K4 (0.47) MAPTKDM4ERAB9ASMN1; SMN2DCLK1
SCHEMBL6892419 0.75 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1MAPTMEN1
SCHEMBL15715941 0.75 ABCC8 (0.56) ABCC8KCNJ11L3MBTL1MAPTMEN1
SCHEMBL28188550 0.74 ABCC8 (0.52) ABCC8KCNJ11L3MBTL1MAPTMEN1
SCHEMBL8887039 0.73 ALDH1A1 (0.60) MAPTKDM4ERAB9ASMN1; SMN2DCLK1

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 ABCC8 1268/4885KCNJ11 3852/4885L3MBTL1 1517/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 ABCC8 1268/4885KCNJ11 3852/4885L3MBTL1 1517/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 ABCC8 1854/4885KCNJ11 4238/4885L3MBTL1 1589/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 ABCC8 1854/4885KCNJ11 4238/4885L3MBTL1 1589/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 ABCC8 1268/4885KCNJ11 3852/4885L3MBTL1 1517/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ABCC8 1854/4885KCNJ11 4238/4885L3MBTL1 1589/4885

“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.