SCHEMBL3468992

SCHEMBL3468992

COc1cc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)ccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.72
CYP2C19 P33261 1/20 0.58
KCNH2 Q12809 1/20 0.58
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL1638427 0.89 CCR1 (0.70) CCR1CYP2C19KCNH2
SCHEMBL1638799 0.87 CCR1 (0.70) CCR1CYP2C19KCNH2
SCHEMBL1639777 0.86 CCR1 (0.69) CCR1CYP2C19KCNH2
SCHEMBL1639602 0.86 CCR1 (0.66) CCR1CYP2C19KCNH2
SCHEMBL3465403 0.84 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL1639606 0.84 CCR1 (0.71) CCR1CYP2C19KCNH2
SCHEMBL1637558 0.84 CCR1 (0.66) CCR1CYP2C19KCNH2
SCHEMBL18133539 0.83 CCR1 (0.63) CCR1CYP2C19KCNH2
SCHEMBL1639651 0.83 CCR1 (0.73) CCR1CYP2C19KCNH2
SCHEMBL1638455 0.83 CCR1 (0.70) 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 10 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-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-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-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-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 1/4885CYP2C19 4113/4885KCNH2 4441/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885CYP2C19 4113/4885KCNH2 4441/4885

“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.