SCHEMBL3855653

SCHEMBL3855653

Cc1c(Cl)c(C(F)(F)F)nn1C(C=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.58
POLB P06746 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4018625 0.88 CCR1 (0.53) CCR1CYP2C19KCNH2
SCHEMBL4022376 0.87 CCR1 (0.54) CCR1CYP2C19KCNH2
SCHEMBL4019904 0.86 CCR1 (0.53) CCR1CYP2C19KCNH2LMNAMAPT
SCHEMBL4020846 0.84 CCR1 (0.56) CCR1CYP2C19KCNH2LMNA
SCHEMBL4013644 0.84 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL6171009 0.83 CCR1 (0.47) CCR1CYP2C19KCNH2MAPT
SCHEMBL4019136 0.83 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL4016053 0.83 CCR1 (0.57) CCR1CYP2C19KCNH2
SCHEMBL4019875 0.82 CCR1 (0.45) CCR1CYP2C19KCNH2
SCHEMBL4015802 0.82 CCR1 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 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 (1 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 1/4885POLB 2884/4885SIRT6 4264/4885

“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.