SCHEMBL2876641

SCHEMBL2876641

CC(C)c1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C(C)C)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.59
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL27642387 0.81 CCR1 (0.41) CCR1MEN1KMT2ATP53ALDH1A1
SCHEMBL2874154 0.78 CCR1 (0.55) CCR1MEN1KMT2APOLBALDH1A1
SCHEMBL27642389 0.77 MAPT (0.37) CCR1KMT2AALDH1A1MAPT
SCHEMBL2872952 0.76 CCR1 (0.74) CCR1TP53
SCHEMBL13715727 0.75 CCR1 (0.53) CCR1MEN1KMT2APOLBALDH1A1
SCHEMBL14039675 0.75 CCR1 (0.63) CCR1MEN1KMT2APOLBTP53
SCHEMBL1381511 0.74 CCR1 (1.00) CCR1
SCHEMBL13066688 0.74 CCR1 (0.71) CCR1
SCHEMBL13715686 0.74 CCR1 (0.58) CCR1MEN1KMT2APOLBTP53
SCHEMBL2878019 0.73 CCR1 (0.57) CCR1MEN1KMT2APOLBTP53

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 26 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-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 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
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
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.