SCHEMBL2874253

SCHEMBL2874253

COc1cc(N2CCN(C(=O)OC(C)(C)C)C(CCS(C)(=O)=O)C2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.50
NR1H3 Q13133 13/20 0.50
CCR1 P32246 3/20 0.48
SUV39H2 Q9H5I1 2/20 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
SCHEMBL2874258 1.00 NR1H2 (0.50) NR1H2NR1H3CCR1SUV39H2
SCHEMBL2875531 0.87 CCR1 (0.61) NR1H2NR1H3CCR1SUV39H2
SCHEMBL2875529 0.87 CCR1 (0.61) NR1H2NR1H3CCR1SUV39H2
SCHEMBL2874393 0.86 CCR1 (0.51) NR1H2NR1H3CCR1SUV39H2
SCHEMBL5905282 0.85 CCR1 (0.51) NR1H2NR1H3CCR1SUV39H2
SCHEMBL4711775 0.85 CCR1 (0.51) NR1H2NR1H3CCR1SUV39H2
SCHEMBL3465752 0.83 OPRK1 (0.51) NR1H2NR1H3CCR1SUV39H2
SCHEMBL13163056 0.83 OPRK1 (0.51) NR1H2NR1H3CCR1SUV39H2
SCHEMBL4708622 0.83 CCR1 (0.49) NR1H2NR1H3CCR1SUV39H2
SCHEMBL13163060 0.82 CCR1 (0.48) NR1H2NR1H3CCR1SUV39H2

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 10 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-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP 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
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US 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 (4 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 NR1H2 125/4885NR1H3 205/4885CCR1 1/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 NR1H2 125/4885NR1H3 205/4885CCR1 1/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 NR1H2 117/4885NR1H3 200/4885CCR1 1/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 NR1H2 125/4885NR1H3 205/4885CCR1 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.