SCHEMBL1929997

SCHEMBL1929997

Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3sc(=O)[nH]c3C(F)(F)F)CC2)c1Cl

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.70
CCR3 P51677 20/20 0.70
KCNH2 Q12809 11/20 0.70
CCR1 P32246 1/20 0.43

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
SCHEMBL1930416 0.94 HRH1 (0.62) HRH1CCR3KCNH2CCR1
SCHEMBL12546978 0.90 HRH1 (0.56) HRH1CCR3KCNH2CCR1
SCHEMBL1929264 0.88 HRH1 (0.70) HRH1CCR3KCNH2CCR1
SCHEMBL1930796 0.88 HRH1 (0.55) HRH1CCR3KCNH2
SCHEMBL1930403 0.86 HRH1 (0.55) HRH1CCR3KCNH2
SCHEMBL1930401 0.86 HRH1 (0.55) HRH1CCR3KCNH2
SCHEMBL1929895 0.85 HRH1 (0.76) HRH1CCR3KCNH2CCR1
SCHEMBL3879119 0.85 HRH1 (0.69) HRH1CCR3KCNH2CCR1
SCHEMBL1928467 0.85 HRH1 (0.69) HRH1CCR3KCNH2CCR1
SCHEMBL1928509 0.85 HRH1 (0.69) HRH1CCR3KCNH2CCR1

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 9 patents. 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
US-7956070-B2 Piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-7956070-B2 Piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-20080108661-A1 Medicaments ASTRAZENECA AB 2008-05-08 US disclosed
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) ASTRAZENECA AB (SE) 2007-03-08 US disclosed
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) ASTRAZENECA AB (SE) 2007-03-08 US disclosed
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) ASTRAZENECA AB (SE) 2007-03-08 US disclosed
EP-1713772-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005073192-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) ASTRAZENECA AB (SE) 2005-08-11 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 (2 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-20070054924-A1 Novel piperidines as chemokine modulators (ccr) CCR3, CCR1, CCR4 HRH1 81/4885CCR3 1/4885KCNH2 2399/4885
US-20080108661-A1 Medicaments CCR3, CCR1, CCR6 HRH1 51/4885CCR3 1/4885KCNH2 2372/4885

“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.