SCHEMBL1384716

SCHEMBL1384716

Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.78
ALDH1A1 P00352 3/20 0.78
CCR1 P32246 7/20 0.59
POLB P06746 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.51
ENPP2 Q13822 1/20 0.50
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL2872007 0.85 CCR1 (0.63) MAPTALDH1A1CCR1POLBMEN1
SCHEMBL2873980 0.82 CCR1 (0.64) MAPTALDH1A1CCR1POLBTP53
SCHEMBL2870322 0.82 CCR1 (0.64) MAPTALDH1A1CCR1POLBTP53
SCHEMBL14039628 0.82 CCR1 (0.64) MAPTALDH1A1CCR1POLBSMN1; SMN2
SCHEMBL14626295 0.81 CCR1 (0.62) MAPTALDH1A1CCR1POLBSMN1; SMN2
SCHEMBL14626005 0.81 TP53 (0.56) MAPTALDH1A1CCR1POLBMEN1
SCHEMBL13682907 0.78 CCR1 (0.64) MAPTALDH1A1CCR1POLBSMN1; SMN2
SCHEMBL2876662 0.77 CCR1 (0.66) MAPTALDH1A1CCR1
SCHEMBL13066136 0.76 CCR1 (0.61) MAPTALDH1A1CCR1POLBSMN1; SMN2
SCHEMBL2872952 0.76 CCR1 (0.74) CCR1TP53

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4723242-B2 2011-07-13 JP claimed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US claimed
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 claimed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US claimed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US claimed
JP-2006508036-A 2006-03-09 JP claimed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US claimed
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 claimed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US claimed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US claimed
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 claimed
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
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 MAPT 3524/4885ALDH1A1 788/4885CCR1 1/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPT 4063/4885ALDH1A1 951/4885CCR1 1/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPT 4063/4885ALDH1A1 951/4885CCR1 1/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPT 3524/4885ALDH1A1 788/4885CCR1 1/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 MAPT 4063/4885ALDH1A1 951/4885CCR1 1/4885

“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.