SCHEMBL4452522

SCHEMBL4452522

COc1cc(C2(NC(C)=O)CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.66
CYP2C19 P33261 1/20 0.66
KCNH2 Q12809 1/20 0.66

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
SCHEMBL4454469 0.91 CCR1 (0.62) CCR1CYP2C19KCNH2
SCHEMBL4449328 0.89 CCR1 (0.64) CCR1CYP2C19KCNH2
SCHEMBL4452507 0.88 CCR1 (0.71) CCR1CYP2C19KCNH2
SCHEMBL4454993 0.87 CCR1 (0.70) CCR1CYP2C19KCNH2
SCHEMBL4458768 0.86 CCR1 (0.69) CCR1CYP2C19KCNH2
SCHEMBL4450699 0.85 CCR1 (0.66) CCR1CYP2C19KCNH2
SCHEMBL4458551 0.85 CCR1 (0.68) CCR1CYP2C19KCNH2
SCHEMBL13761265 0.85 CCR1 (0.67) CCR1CYP2C19KCNH2
SCHEMBL4452308 0.81 CCR1 (0.62) CCR1CYP2C19KCNH2
SCHEMBL5313050 0.80 CCR1 (0.43) 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
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 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 (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-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 CCR1 1/4885CYP2C19 3474/4885KCNH2 4233/4885

“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.