SCHEMBL12541069

SCHEMBL12541069

O=C1CC[C@H](c2cccc(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
RIPK1 Q13546 1/20 0.40
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
GRM2 Q14416 1/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL12540092 1.00 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL12540090 1.00 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL716517 0.90 KDM4E (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL730107 0.89 ESR2 (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL428343 0.85 GAA (0.48) KDM4EMAP1LC3BRIPK1CYP19A1GAA
SCHEMBL1779811 0.82 MAPT (0.60) KDM4EMAP1LC3BCYP19A1GAAMAPT
SCHEMBL23363553 0.79 KDM1A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL14243995 0.79 ADRA1A (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL17858770 0.79 KDM1A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL14248156 0.79 ADRA1A (0.54) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802711-B2 TRPV1 antagonists ABBVIE INC. (US) 2014-08-12 US disclosed
CN-103635458-A Trpv1 antagonists ABBVIE INC 2014-03-12 CN disclosed
EP-2688866-A1 TRPV1 ANTAGONISTS AbbVie Inc. (US) 2014-01-29 EP disclosed
WO-2012134943-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2012-10-04 WO disclosed
US-20120245163-A1 TRPV1 Antagonists ABBOTT LABORATORIES (US) 2012-09-27 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 (1 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-20120245163-A1 TRPV1 Antagonists TRPV1, TRPV3, TRPV6 PDE4A 871/4885PDE4B 823/4885PDE4C 1173/4885

“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.