SCHEMBL3464871

SCHEMBL3464871

COc1cc(N2CCN(C(=O)Cn3nc(C)c(Cl)c3-c3ncccn3)C(C)C2)c(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.51
CXCR3 P49682 7/20 0.39
MAPT P10636 1/20 0.38
CHRM1 P11229 2/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3464873 1.00 CCR1 (0.51) CCR1CXCR3MAPTCHRM1CYP2C19
SCHEMBL3463483 0.88 CCR1 (0.56) CCR1CXCR3CYP2C19KCNH2
SCHEMBL3463484 0.88 CCR1 (0.56) CCR1CXCR3CYP2C19KCNH2
SCHEMBL12726530 0.85 CCR1 (0.51) CCR1CXCR3CHRM1
SCHEMBL1637737 0.85 CCR1 (0.51) CCR1CXCR3CHRM1
SCHEMBL3464619 0.85 CCR1 (0.49) CCR1CXCR3CHRM1
SCHEMBL3464621 0.85 CCR1 (0.49) CCR1CXCR3CHRM1
SCHEMBL3864970 0.84 CCR1 (0.55) CCR1CXCR3CYP2C19KCNH2
SCHEMBL3864967 0.84 CCR1 (0.55) CCR1CXCR3CYP2C19KCNH2
SCHEMBL3464356 0.82 CCR1 (0.59) 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-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

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

For each of this compound's patents that has machine-readable text (2 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 1/4885CXCR3 18/4885MAPT 4063/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885CXCR3 18/4885MAPT 4063/4885

“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.