SCHEMBL2875654

SCHEMBL2875654

CCOC(=O)c1cc(C(=O)OCC)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 4/20 0.53
CCR1 P32246 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL13163567 0.91 HSD17B10 (0.56) HSD17B10TDP1ALDH1A1CCR1SMN1; SMN2
SCHEMBL2874482 0.91 HSD17B10 (0.61) HSD17B10TDP1ALDH1A1CCR1SMN1; SMN2
SCHEMBL2876126 0.88 HSD17B10 (0.58) HSD17B10TDP1ALDH1A1CCR1SMN1; SMN2
SCHEMBL2876845 0.87 HSD17B10 (0.53) HSD17B10TDP1ALDH1A1CCR1SMN1; SMN2
SCHEMBL2873416 0.82 ALDH1A1 (0.54) HSD17B10TDP1ALDH1A1CCR1SMN1; SMN2
SCHEMBL13715638 0.81 CCR1 (0.47) HSD17B10TDP1ALDH1A1CCR1SMN1; SMN2
SCHEMBL2879039 0.79 CCR1 (0.56) HSD17B10TDP1ALDH1A1CCR1SMN1; SMN2
SCHEMBL2873189 0.79 CCR1 (0.59) HSD17B10TDP1ALDH1A1CCR1SMN1; SMN2
SCHEMBL27662980 0.78 CCR1 (0.57) ALDH1A1CCR1LMNAMAPTTHRB
SCHEMBL13024641 0.76 CCR1 (0.60) ALDH1A1CCR1LMNAMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 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
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
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
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 HSD17B10 3223/4885TDP1 4391/4885ALDH1A1 788/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 HSD17B10 3223/4885TDP1 4391/4885ALDH1A1 788/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 HSD17B10 3449/4885TDP1 3835/4885ALDH1A1 951/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HSD17B10 3449/4885TDP1 3835/4885ALDH1A1 951/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 HSD17B10 3223/4885TDP1 4391/4885ALDH1A1 788/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 HSD17B10 3449/4885TDP1 3835/4885ALDH1A1 951/4885

“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.