SCHEMBL2876804

SCHEMBL2876804

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.60
ALK Q9UM73 6/20 0.59
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SUV39H2 Q9H5I1 1/20 0.55

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
SCHEMBL3631830 0.89 CCR1 (0.60) CCR1MAPTSMN1; SMN2
SCHEMBL13417644 0.85 CCR1 (0.57) CCR1MAPTSMN1; SMN2
SCHEMBL12765632 0.85 CCR1 (0.65) CCR1ALK
SCHEMBL1639577 0.85 CCR1 (0.69) CCR1
SCHEMBL1911902 0.84 TGFBR1 (0.54) ALKMAPT
SCHEMBL4281721 0.84 QDPR (0.59) ALKMAPT
SCHEMBL18711281 0.83 MAPT (0.70) ALKMAPTSMN1; SMN2
SCHEMBL2205957 0.83 CASP6 (0.59) ALKMAPT
SCHEMBL1639007 0.83 SUV39H2 (0.60) CCR1ALKMAPTSMN1; SMN2SUV39H2
SCHEMBL14724221 0.82 CCR1 (0.62) CCR1

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 16 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-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 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 (6 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885ALK 1554/4885MAPT 3524/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885ALK 1554/4885MAPT 3524/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885ALK 2664/4885MAPT 4063/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885ALK 2664/4885MAPT 4063/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885ALK 1554/4885MAPT 3524/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885ALK 2664/4885MAPT 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.