SCHEMBL5400970

SCHEMBL5400970

CC(C)(C)OC(=O)N1CCN(CC(C(=O)O)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM3 P20309 1/20 0.55
ABCB1 P08183 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ATM Q13315 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.49
GPR119 Q8TDV5 1/20 0.47
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7095678 0.93 CHRM2 (0.49) CHRM1CHRM2CHRM4CHRM3ABCB1
SCHEMBL8380925 0.86 ABCB1 (0.54) CHRM1CHRM2CHRM4CHRM3ABCB1
SCHEMBL8380927 0.86 ABCB1 (0.54) CHRM1CHRM2CHRM4CHRM3ABCB1
SCHEMBL8332282 0.84 ABCB1 (0.53) CHRM1CHRM2CHRM4CHRM3ABCB1
SCHEMBL8336752 0.81 ABCB1 (0.53) CHRM1CHRM2CHRM4CHRM3ABCB1
SCHEMBL27504371 0.81 ALDH1A1 (0.54) CHRM1ALDH1A1KDM4EATMGAA
SCHEMBL8431248 0.80 ABCB1 (0.49) CHRM1CHRM2CHRM4CHRM3ABCB1
SCHEMBL14593289 0.79 ABCB1 (0.51) CHRM1CHRM2CHRM4CHRM3ABCB1
SCHEMBL26698235 0.78 GAA (0.64) CHRM1ALDH1A1ATMGAAHTT
SCHEMBL1852622 0.77 GLS (0.57) CHRM1CHRM2CHRM4CHRM3ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 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
EP-1493743-A1 Substituted bipiperidine intermediates and derivatives thereof AstraZeneca AB (SE) 2005-01-05 EP disclosed
US-20040014783-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-22 US disclosed
US-20040006080-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-08 US disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 US disclosed
US-20020077337-A1 Chemical compounds ASTRAZENECA AB (SE) 2002-06-20 US disclosed
US-5981529-A Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists MERCK SHARP & DOHME LIMITED (GB) 1999-11-09 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 (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-20020077337-A1 Chemical compounds CCR3, CCR1, CCR4 CHRM1 300/4885CHRM2 327/4885CHRM4 348/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 CHRM1 381/4885CHRM2 354/4885CHRM4 389/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 CHRM1 300/4885CHRM2 327/4885CHRM4 348/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 CHRM1 300/4885CHRM2 327/4885CHRM4 348/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 CHRM1 381/4885CHRM2 354/4885CHRM4 389/4885

“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.