SCHEMBL2876131

SCHEMBL2876131

COc1cc(N2CCN(C(=O)CCl)CC2)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49
GFER P55789 1/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL1639577 0.86 CCR1 (0.69) CCR1RAB9ACYP2C19KCNH2
SCHEMBL13178854 0.85 CCR1 (0.53) CCR1MEN1KMT2ARAB9AGFER
SCHEMBL16693936 0.85 CCR1 (0.53) CCR1MEN1KMT2ARAB9AGFER
SCHEMBL17310201 0.84 SMN1; SMN2 (0.51) CCR1MEN1KMT2AGFERMAPT
SCHEMBL14582471 0.82 CCR1 (0.51) CCR1MEN1KMT2ARAB9AGFER
SCHEMBL3771135 0.82 CCR1 (0.51) CCR1MEN1KMT2AGFERMAPT
SCHEMBL3767764 0.79 LMNA (0.52) CCR1MEN1KMT2AGFERMAPT
SCHEMBL2386587 0.79 SUV39H2 (0.55) MAPT
SCHEMBL30726275 0.79 SUV39H2 (0.55) MAPT
SCHEMBL945994 0.78 L3MBTL1 (0.66) MEN1KMT2AGFERMAPTL3MBTL1

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 29 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-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-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-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-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-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
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 1/4885MEN1 4690/4885KMT2A 3499/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MEN1 4690/4885KMT2A 3499/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MEN1 4735/4885KMT2A 3775/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MEN1 4735/4885KMT2A 3775/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MEN1 4690/4885KMT2A 3499/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885MEN1 4735/4885KMT2A 3775/4885

“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.