SCHEMBL2692879

SCHEMBL2692879

CO[C@@H](C)COc1ccc(C(C)N)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.38
AAK1 Q2M2I8 12/20 0.38
CYP3A4 P08684 3/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
GSK3A P49840 1/20 0.34
PRKG2 Q13237 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
S1PR1 P21453 1/20 0.34
PDE2A O00408 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL860439 0.82 AR (0.40) AAK1CYP3A4S1PR1
SCHEMBL12180502 0.81 SYK (0.43) XDHAAK1CYP3A4PDE3BPDE3A
SCHEMBL16172624 0.81 SYK (0.43) XDHAAK1CYP3A4PDE3BPDE3A
SCHEMBL9987923 0.79 RXRA (0.40) XDHAAK1CYP3A4PDE3BPDE3A
SCHEMBL15801234 0.79 RXRA (0.39) XDHAAK1CYP3A4PDE3BPDE3A
SCHEMBL9987922 0.79 XDH (0.36) XDHAAK1CYP3A4PDE3BPDE3A
SCHEMBL5050129 0.78 KDM4E (0.44) XDHAAK1CYP3A4S1PR1
SCHEMBL841828 0.75 AAK1 (0.46) AAK1CYP3A4GSK3APRKG2MKNK2
Trifluoroacetic Acid SCHEMBL841644 0.75 HTT (0.43) XDHS1PR1AKR1C3AKR1C2
SCHEMBL12804484 0.71 MRGPRX4 (0.44) XDHAAK1CYP3A4PDE3BPDE3A

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-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 US claimed
EP-1966156-A2 NEW COMPOUNDS III AstraZeneca AB (SE) 2008-09-10 EP claimed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 US claimed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 EP disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 US disclosed
EP-1966156-A2 NEW COMPOUNDS III AstraZeneca AB (SE) 2008-09-10 EP disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 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-20100286202-A1 New Compounds REN, PCSK9, FURIN XDH 357/4885AAK1 4026/4885CYP3A4 62/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 XDH 196/4885AAK1 4227/4885CYP3A4 117/4885

“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.