SCHEMBL2876126

SCHEMBL2876126

CCCc1cc(C(=O)OCC)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 3/20 0.51
CCR1 P32246 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.44
CETP P11597 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
SCHEMBL2874482 0.89 HSD17B10 (0.61) HSD17B10ALDH1A1CCR1TDP1LMNA
SCHEMBL2875654 0.88 HSD17B10 (0.60) HSD17B10ALDH1A1CCR1TDP1LMNA
SCHEMBL13163567 0.86 HSD17B10 (0.56) HSD17B10ALDH1A1CCR1TDP1LMNA
SCHEMBL2876845 0.83 HSD17B10 (0.53) HSD17B10ALDH1A1CCR1TDP1LMNA
SCHEMBL2873416 0.81 ALDH1A1 (0.54) HSD17B10ALDH1A1CCR1TDP1LMNA
SCHEMBL2875548 0.80 CCR1 (0.55) HSD17B10ALDH1A1CCR1TDP1LMNA
SCHEMBL13024624 0.80 CCR1 (0.55) HSD17B10ALDH1A1CCR1TDP1LMNA
SCHEMBL2873189 0.77 CCR1 (0.59) HSD17B10ALDH1A1CCR1TDP1LMNA
SCHEMBL2879039 0.77 CCR1 (0.56) HSD17B10ALDH1A1CCR1TDP1LMNA
SCHEMBL13715638 0.77 CCR1 (0.47) HSD17B10ALDH1A1CCR1TDP1LMNA

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 32 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-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-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 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 HSD17B10 3223/4885ALDH1A1 788/4885CCR1 1/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 HSD17B10 3449/4885ALDH1A1 951/4885CCR1 1/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HSD17B10 3449/4885ALDH1A1 951/4885CCR1 1/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 HSD17B10 3223/4885ALDH1A1 788/4885CCR1 1/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 HSD17B10 3449/4885ALDH1A1 951/4885CCR1 1/4885

“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.