SCHEMBL2875554

SCHEMBL2875554

Cc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2C)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.74
MAPT P10636 2/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNH2 Q12809 1/20 0.53

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
SCHEMBL13715957 0.91 CCR1 (0.61) CCR1MAPTCYP2C19MEN1USP2
SCHEMBL3463700 0.89 CCR1 (0.75) CCR1CYP2C19KCNH2
SCHEMBL2873841 0.85 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL2873703 0.84 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL2873701 0.84 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL2875343 0.84 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL27764744 0.82 CCR1 (0.54) CCR1MAPTCYP2C19MEN1USP2
SCHEMBL27764747 0.78 CCR1 (0.49) CCR1MAPTCYP2C19MEN1USP2
SCHEMBL3464073 0.78 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL2874338 0.77 CCR1 (1.00) 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 28 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-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-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 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
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
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

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

For each of this compound's patents that has machine-readable text (6 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 1/4885MAPT 3524/4885CYP2C19 4206/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 3524/4885CYP2C19 4206/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 4063/4885CYP2C19 4113/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 4063/4885CYP2C19 4113/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 3524/4885CYP2C19 4206/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 4063/4885CYP2C19 4113/4885

“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.