SCHEMBL1929697

SCHEMBL1929697

Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CN)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.54
CCR3 P51677 12/20 0.54
KCNH2 Q12809 6/20 0.54
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL6648874 1.00 HRH1 (0.54) HRH1CCR3KCNH2LMNAPOLB
SCHEMBL3286028 0.83 HRH1 (0.46) HRH1CCR3KCNH2CYP1A2CYP2D6
SCHEMBL3286021 0.83 HRH1 (0.46) HRH1CCR3KCNH2CYP1A2CYP2D6
SCHEMBL3283140 0.83 HRH1 (0.50) HRH1CCR3KCNH2
SCHEMBL3282963 0.83 HRH1 (0.48) HRH1CCR3KCNH2CYP1A2CYP2D6
SCHEMBL3282974 0.83 HRH1 (0.48) HRH1CCR3KCNH2CYP1A2CYP2D6
SCHEMBL3283132 0.83 HRH1 (0.50) HRH1CCR3KCNH2
SCHEMBL1929589 0.81 HRH1 (0.50) HRH1CCR3KCNH2DRD2DRD4
SCHEMBL1929113 0.81 CCR3 (0.54) HRH1CCR3KCNH2DRD2DRD4
SCHEMBL5986597 0.81 CCR3 (0.54) HRH1CCR3KCNH2DRD2DRD4

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 8 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
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-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-1938274-A Novel piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2007-03-28 CN disclosed
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) ASTRAZENECA AB (SE) 2007-03-08 US disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 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 (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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 HRH1 33/4885CCR3 2/4885KCNH2 862/4885
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) CCR3, CCR1, CCR4 HRH1 81/4885CCR3 1/4885KCNH2 2399/4885

“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.