SCHEMBL6167744

SCHEMBL6167744

Cc1c(Cl)c(C(F)(F)F)nn1C(C=O)N1CCN(c2ccc(Cl)c(OC(C)C)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.62
CYP2C19 P33261 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL4015802 0.91 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL6193030 0.88 CCR1 (0.62) CCR1CYP2C19KCNH2
SCHEMBL4013644 0.88 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL4016053 0.87 CCR1 (0.57) CCR1CYP2C19KCNH2
SCHEMBL4021858 0.85 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL6171132 0.85 CCR1 (0.51) CCR1CYP2C19KCNH2
SCHEMBL4309728 0.84 CCR1 (0.47) CCR1CYP2C19KCNH2
SCHEMBL27642378 0.84 CCR1 (0.68) CCR1CYP2C19KCNH2
SCHEMBL4019996 0.84 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL4016448 0.84 CCR1 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US 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-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885CYP2C19 4206/4885KCNH2 3836/4885

“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.