SCHEMBL5375403

SCHEMBL5375403

c1cc2c(cc1OC1CCNCC1)CCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.70
HRH1 P35367 2/20 0.51
IKBKB O14920 1/20 0.49
ROCK1 Q13464 4/20 0.47
ROCK2 O75116 1/20 0.47
PRKACA P17612 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKG1 Q13976 1/20 0.47
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
Q6ZSR9 Q6ZSR9 1/20 0.47
BMP2K Q9NSY1 1/20 0.47
CDC42BPB Q9Y5S2 1/20 0.47
HTR2C P28335 2/20 0.45
CYP2D6 P10635 2/20 0.45
DYRK1A Q13627 1/20 0.44
TIPARP Q7Z3E1 1/20 0.44
PARP1 P09874 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
SCHEMBL8055535 0.92 HRH3 (0.68) HRH3HRH1IKBKBROCK1ROCK2
SCHEMBL15088504 0.84 HRH3 (0.71) HRH3HRH1IKBKBHTR2CCYP2D6
SCHEMBL3085867 0.83 HRH3 (1.00) HRH3CYP2D6
SCHEMBL3077588 0.83 HRH3 (0.95) HRH3CYP2D6
SCHEMBL2299454 0.83 SLC6A4 (0.54) HRH3ROCK1HTR2CCYP2D6
SCHEMBL21461282 0.82 HRH3 (0.51) HRH3HRH1ROCK1ROCK2PRKACA
SCHEMBL20324756 0.82 HRH3 (0.51) HRH3HRH1IKBKBROCK1ROCK2
SCHEMBL19023114 0.82 HRH3 (0.53) HRH3HRH1IKBKBROCK1ROCK2
SCHEMBL21461293 0.81 HRH3 (0.53) HRH3HRH1IKBKBROCK1ROCK2
SCHEMBL29594399 0.81 HRH3 (0.53) HRH3HRH1IKBKBROCK1ROCK2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307090-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-12-11 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-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 US disclosed
EP-1404667-B1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-03-08 EP disclosed
EP-1604982-A1 INTERMEDIATES FOR THE PREPARATION OF PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2005-12-14 EP disclosed
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1493743-A1 Substituted bipiperidine intermediates and derivatives thereof AstraZeneca AB (SE) 2005-01-05 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

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-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 HRH3 29/4885HRH1 38/4885IKBKB 782/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 HRH3 29/4885HRH1 38/4885IKBKB 782/4885

“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.