SCHEMBL5374046

SCHEMBL5374046

COc1cc(F)ccc1OC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.54
HTR1A P08908 3/20 0.54
SLC6A3 Q01959 1/20 0.54
SLC6A4 P31645 2/20 0.49
PDE4B Q07343 1/20 0.48
HTR2C P28335 3/20 0.47
HTR2B P41595 2/20 0.47
HRH1 P35367 1/20 0.46
NMT1 P30419 3/20 0.46
CCNT1 O60563 3/20 0.46
CDK9 P50750 3/20 0.46
PIK3CA P42336 1/20 0.45

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
SCHEMBL19641654 0.85 PDE4A (0.48) PDE4B
SCHEMBL2908060 0.85 PDE4A (0.51) PDE4B
SCHEMBL23410206 0.83 ACHE (0.53) SLC6A2HTR1ASLC6A3PDE4BHTR2C
SCHEMBL1231616 0.83 SLC6A2 (0.51) SLC6A2HTR1ASLC6A3SLC6A4HTR2C
SCHEMBL5383787 0.83 HTR1A (0.51) SLC6A2HTR1ASLC6A3SLC6A4HTR2C
SCHEMBL83203 0.82 SLC6A2 (0.62) SLC6A2HTR1ASLC6A3SLC6A4HTR2C
SCHEMBL941030 0.82 SLC6A2 (0.58) SLC6A2HTR1ASLC6A3SLC6A4HTR2C
SCHEMBL5370635 0.82 HRH1 (0.50) SLC6A2HTR1ASLC6A3SLC6A4HTR2C
SCHEMBL1780546 0.82 HRH1 (0.62) SLC6A2HTR1ASLC6A3SLC6A4PDE4B
SCHEMBL5369483 0.81 HTR2C (0.58) SLC6A4HTR2CHTR2B

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 14 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
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-20040058962-A1 Phenylalkylamines and pyridylalkylamines RECORDATI S.A. (CH) 2004-03-25 US disclosed
WO-2003106421-A2 PHENYLALKYLAMINES AND PYRIDYLALKYLAMINES RECORDATI S.A. (CH) 2003-12-24 WO 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 (3 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-20040058962-A1 Phenylalkylamines and pyridylalkylamines HTR1A, HTR5A, HTR3A SLC6A2 76/4885HTR1A 1/4885SLC6A3 64/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 SLC6A2 4470/4885HTR1A 1383/4885SLC6A3 3346/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 SLC6A2 4470/4885HTR1A 1383/4885SLC6A3 3346/4885

“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.