SCHEMBL2870668

SCHEMBL2870668

CCCCc1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.50
HCAR3 P49019 4/20 0.50
HRH3 Q9Y5N1 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
DAO P14920 1/20 0.36
GPR84 Q9NQS5 1/20 0.34
KDM5A P29375 1/20 0.33
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
PDPK1 O15530 1/20 0.32
PTGS2 P35354 1/20 0.32
DDX3X O00571 1/20 0.31

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
SCHEMBL2876826 0.89 HCAR2 (0.47) HCAR2HCAR3HPGDTSHR
SCHEMBL16645165 0.84 HCAR2 (0.37) HCAR2HCAR3HPGDTSHRPTGS2
SCHEMBL2581322 0.81 HCAR2 (0.44) HCAR2HPGDTSHR
SCHEMBL25318750 0.78 HPGD (0.35) HPGDTSHR
SCHEMBL16637311 0.78 HPGD (0.35) HCAR2HCAR3HPGDTSHR
SCHEMBL2873861 0.74 HCAR2 (0.47) HCAR2HPGDTSHR
SCHEMBL2870689 0.73 HCAR2 (0.46) HCAR2HPGDTSHRPDPK1
SCHEMBL2686408 0.73 LOXL2 (0.40) HPGDTSHR
SCHEMBL3664304 0.73 HPGD (0.37) HPGDTSHR
SCHEMBL2765959 0.73 HCAR2 (0.56) HCAR2HCAR3HRH3DAOGPR84

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 27 patents — showing the first 20. 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-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 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-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
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-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 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
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 (5 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-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 HCAR2 31/4885HCAR3 39/4885HRH3 59/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 HCAR2 34/4885HCAR3 36/4885HRH3 64/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HCAR2 34/4885HCAR3 36/4885HRH3 64/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 HCAR2 31/4885HCAR3 39/4885HRH3 59/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 HCAR2 34/4885HCAR3 36/4885HRH3 64/4885

“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.