SCHEMBL2869405

SCHEMBL2869405

O=C(c1ccccc1)c1cc(Cl)ccc1N1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.61
ALDH1A1 P00352 7/20 0.58
HTT P42858 4/20 0.58
MITF O75030 1/20 0.58
HSP90AA1 P07900 1/20 0.58
ATM Q13315 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TLR9 Q9NR96 1/20 0.58
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
HTR3A P46098 3/20 0.47
ADRB1 P08588 2/20 0.47

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
SCHEMBL3407551 0.83 HTR6 (0.66) HTR6ALDH1A1HTTHSP90AA1ATM
SCHEMBL14498801 0.80 LMNA (0.80) HTR6ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL11908418 0.77 ALDH1A1 (0.59) HTR6ALDH1A1HTTNPSR1USP2
SCHEMBL652911 0.77 HTR3E (0.56) HTR6ALDH1A1HTTATMNPSR1
SCHEMBL9428696 0.75 ALDH1A1 (0.51) ALDH1A1HTTMITFHSP90AA1ATM
SCHEMBL5707831 0.75 HTR6 (0.60) HTR6ALDH1A1HSP90AA1ATMNPSR1
SCHEMBL8438308 0.75 ALDH1A1 (0.72) ALDH1A1HTTMITFHSP90AA1ATM
SCHEMBL11908425 0.74 NPC1 (0.71) HTR6ALDH1A1NPSR1USP2TSHR
SCHEMBL11487416 0.73 ALDH1A1 (0.78) ALDH1A1HTTLMNASMN1; SMN2POLB
SCHEMBL11853098 0.73 ALDH1A1 (0.62) ALDH1A1HTTMITFHSP90AA1ATM

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 31 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-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 HTR6 1298/4885ALDH1A1 788/4885HTT 3106/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR6 966/4885ALDH1A1 951/4885HTT 3478/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR6 966/4885ALDH1A1 951/4885HTT 3478/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR6 1298/4885ALDH1A1 788/4885HTT 3106/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 HTR6 966/4885ALDH1A1 951/4885HTT 3478/4885

“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.