SCHEMBL3464085

SCHEMBL3464085

COc1cc(N2CCN(C(=O)OC(C)(C)C)C(CN3CCN(C)CC3)C2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.48
SUV39H2 Q9H5I1 4/20 0.46
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
OPRK1 P41145 4/20 0.44
CNR1 P21554 1/20 0.41
ALK Q9UM73 2/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL13163060 1.00 CCR1 (0.48) CCR1SUV39H2NR1H2NR1H3OPRK1
SCHEMBL13163056 0.93 OPRK1 (0.51) CCR1SUV39H2NR1H2NR1H3OPRK1
SCHEMBL3465752 0.93 OPRK1 (0.51) CCR1SUV39H2NR1H2NR1H3OPRK1
SCHEMBL13163059 0.90 CCR1 (0.47) CCR1SUV39H2NR1H2NR1H3OPRK1
SCHEMBL3465379 0.90 CCR1 (0.47) CCR1SUV39H2NR1H2NR1H3OPRK1
SCHEMBL2875529 0.87 CCR1 (0.61) CCR1SUV39H2NR1H2NR1H3ALK
SCHEMBL2875531 0.87 CCR1 (0.61) CCR1SUV39H2NR1H2NR1H3ALK
SCHEMBL2874393 0.86 CCR1 (0.51) CCR1SUV39H2NR1H2NR1H3ALK
SCHEMBL5905282 0.85 CCR1 (0.51) CCR1SUV39H2NR1H2NR1H3ALK
SCHEMBL4711775 0.85 CCR1 (0.51) CCR1SUV39H2NR1H2NR1H3ALK

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 13 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-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
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 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 (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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885SUV39H2 2585/4885NR1H2 117/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885SUV39H2 2585/4885NR1H2 117/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885SUV39H2 3078/4885NR1H2 125/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885SUV39H2 3078/4885NR1H2 125/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885SUV39H2 3078/4885NR1H2 125/4885

“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.