SCHEMBL1928032

SCHEMBL1928032

Cc1c(Cl)ccc(OC2CCNCC2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.44
SLC6A4 P31645 2/20 0.43
TOP2A P11388 3/20 0.43
HSP90AB1 P08238 2/20 0.43
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
HTR1A P08908 2/20 0.42
SLC6A2 P23975 2/20 0.42
CCR3 P51677 3/20 0.41
KCNH2 Q12809 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL5189891 0.89 HRH1 (0.45) HRH1SLC6A4TOP2AHSP90AB1HTR2C
Hydrochloric Acid SCHEMBL180200 0.87 TOP2A (0.44) HRH1SLC6A4TOP2AHSP90AB1HTR2C
SCHEMBL5414677 0.86 CCR3 (0.54) HRH1CCR3KCNH2
SCHEMBL4969419 0.83 CCR3 (0.55) HRH1CCR3KCNH2
SCHEMBL1231225 0.77 HTR2C (0.48) HRH1SLC6A4HTR2CHTR2BHTR1A
SCHEMBL5369456 0.77 HTR2C (0.51) HRH1SLC6A4HTR2CHTR2B
SCHEMBL5002025 0.77 HRH1 (0.41) HRH1SLC6A4TOP2AHSP90AB1HTR2C
SCHEMBL3080032 0.77 SLC6A2 (0.57) HRH1SLC6A4HTR1ASLC6A2KCNH2
SCHEMBL5417002 0.76 CCR3 (0.45) HRH1SLC6A4TOP2AHSP90AB1CCR3
Hydrochloric Acid SCHEMBL4095144 0.75 SLC6A2 (0.56) HRH1SLC6A4TOP2AHSP90AB1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956070-B2 Piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1478624-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-08 EP disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7307090-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-12-11 US disclosed
US-7304077-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-12-04 US disclosed
US-7265227-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-09-04 US disclosed
US-20070179297-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-08-02 US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) ASTRAZENECA AB (SE) 2007-03-08 US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 US disclosed
EP-1274701-B1 [1,4']-BIPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2005-06-29 EP disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 US disclosed
EP-1493743-A1 Substituted bipiperidine intermediates and derivatives thereof AstraZeneca AB (SE) 2005-01-05 EP disclosed
EP-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
US-20040102432-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-05-27 US disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 WO disclosed
EP-1322611-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-07-02 EP disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 US disclosed
WO-2002020484-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-03-14 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 (4 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 HRH1 33/4885SLC6A4 2650/4885TOP2A 3794/4885
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) CCR3, CCR1, CCR4 HRH1 81/4885SLC6A4 3799/4885TOP2A 4108/4885
US-20040102432-A1 Chemical compounds CCL11, HRH1, HRH4 HRH1 2/4885SLC6A4 1756/4885TOP2A 1842/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 HRH1 38/4885SLC6A4 3874/4885TOP2A 3205/4885

“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.