SCHEMBL3465360

SCHEMBL3465360

COc1cc(N2CCN(C(=O)Cn3nc(-c4cccc(C)n4)c(Cl)c3C)C(C)C2)ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.69
CYP2C19 P33261 1/20 0.51
KCNH2 Q12809 1/20 0.51
SUV39H2 Q9H5I1 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
SCHEMBL3465363 1.00 CCR1 (0.69) CCR1CYP2C19KCNH2SUV39H2
SCHEMBL3465458 0.92 CCR1 (0.63) CCR1CYP2C19KCNH2
SCHEMBL3465456 0.92 CCR1 (0.63) CCR1CYP2C19KCNH2
SCHEMBL3464175 0.90 CCR1 (0.65) CCR1CYP2C19KCNH2SUV39H2
SCHEMBL3464171 0.90 CCR1 (0.65) CCR1CYP2C19KCNH2SUV39H2
SCHEMBL3463831 0.89 CCR1 (0.69) CCR1CYP2C19KCNH2
SCHEMBL3463829 0.89 CCR1 (0.69) CCR1CYP2C19KCNH2
SCHEMBL3464955 0.87 CCR1 (0.74) CCR1CYP2C19KCNH2
SCHEMBL13162751 0.87 CCR1 (0.70) CCR1CYP2C19KCNH2
SCHEMBL3464953 0.87 CCR1 (0.70) CCR1CYP2C19KCNH2

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 5 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
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

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 CCR1 1/4885CYP2C19 4113/4885KCNH2 4441/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885CYP2C19 4113/4885KCNH2 4441/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885CYP2C19 4113/4885KCNH2 4441/4885

“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.