SCHEMBL3465752

SCHEMBL3465752

COc1cc(N2CCN(C(=O)OC(C)(C)C)C(CN3CCCC3)C2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.51
CCR1 P32246 4/20 0.49
SUV39H2 Q9H5I1 2/20 0.47
NR1H2 P55055 3/20 0.45
NR1H3 Q13133 3/20 0.45
OPRM1 P35372 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
OPRD1 P41143 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALK Q9UM73 2/20 0.41

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
SCHEMBL13163056 1.00 OPRK1 (0.51) OPRK1CCR1SUV39H2NR1H2NR1H3
SCHEMBL3464085 0.93 CCR1 (0.48) OPRK1CCR1SUV39H2NR1H2NR1H3
SCHEMBL13163060 0.93 CCR1 (0.48) OPRK1CCR1SUV39H2NR1H2NR1H3
SCHEMBL13163059 0.92 CCR1 (0.47) OPRK1CCR1SUV39H2NR1H2NR1H3
SCHEMBL3465379 0.92 CCR1 (0.47) OPRK1CCR1SUV39H2NR1H2NR1H3
SCHEMBL2875531 0.88 CCR1 (0.61) CCR1SUV39H2NR1H2NR1H3CYP2C19
SCHEMBL2875529 0.88 CCR1 (0.61) CCR1SUV39H2NR1H2NR1H3CYP2C19
SCHEMBL2874393 0.87 CCR1 (0.51) CCR1SUV39H2NR1H2NR1H3CYP2C19
SCHEMBL4711775 0.87 CCR1 (0.51) CCR1SUV39H2NR1H2NR1H3CYP2C19
SCHEMBL5905282 0.87 CCR1 (0.51) CCR1SUV39H2NR1H2NR1H3CYP2C19

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 8 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 OPRK1 143/4885CCR1 1/4885SUV39H2 3078/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 OPRK1 143/4885CCR1 1/4885SUV39H2 3078/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 OPRK1 143/4885CCR1 1/4885SUV39H2 3078/4885

“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.