SCHEMBL2873299

SCHEMBL2873299

CC1CN(c2ccc(Cl)cc2)CCN1C(=O)CCl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
SLC6A7 Q99884 2/20 0.46
DRD4 P21917 5/20 0.45
DRD2 P14416 3/20 0.45
HPGD P15428 1/20 0.45
AKR1C3 P42330 1/20 0.45
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM4 P08173 2/20 0.43
CCR1 P32246 1/20 0.43
CXCR3 P49682 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42

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
SCHEMBL2875781 1.00 NOTUM (0.47) NOTUMSLC6A7DRD4DRD2HPGD
SCHEMBL2873293 1.00 NOTUM (0.47) NOTUMSLC6A7DRD4DRD2HPGD
SCHEMBL12193587 0.81 SLC6A7 (0.51) SLC6A7CHRM4CXCR3
SCHEMBL2470547 0.81 SLC6A7 (0.51) SLC6A7CHRM4CXCR3
SCHEMBL2875349 0.80 CCR1 (0.62) CHRM4CCR1
SCHEMBL2875351 0.80 CCR1 (0.62) CHRM4CCR1
SCHEMBL3464912 0.79 CCR1 (0.51) SMN1; SMN2CCR1
SCHEMBL3464913 0.79 CCR1 (0.51) SMN1; SMN2CCR1
SCHEMBL20047928 0.78 SLC6A7 (0.41) SLC6A7CHRM4CCR1CXCR3
SCHEMBL13184086 0.77 CCR1 (0.50) CHRM4CCR1

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 14 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-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
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
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
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
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 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 (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 NOTUM 4652/4885SLC6A7 1112/4885DRD4 3277/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 NOTUM 4652/4885SLC6A7 1112/4885DRD4 3277/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 NOTUM 4580/4885SLC6A7 1374/4885DRD4 2666/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 NOTUM 4580/4885SLC6A7 1374/4885DRD4 2666/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 NOTUM 4652/4885SLC6A7 1112/4885DRD4 3277/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 NOTUM 4580/4885SLC6A7 1374/4885DRD4 2666/4885

“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.