SCHEMBL15906110

SCHEMBL15906110

COc1ccc(CN2C(=O)CCC2CO)cc1-c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.47
HCRTR1 O43613 18/20 0.47
GYS1 P13807 1/20 0.44

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
SCHEMBL15906091 1.00 HCRTR2 (0.47) HCRTR2HCRTR1GYS1
SCHEMBL15906089 1.00 HCRTR2 (0.47) HCRTR2HCRTR1GYS1
SCHEMBL15906125 0.90 HCRTR2 (0.47) HCRTR2HCRTR1
SCHEMBL15906123 0.90 HCRTR2 (0.47) HCRTR2HCRTR1
SCHEMBL15906115 0.90 HCRTR2 (0.47) HCRTR2HCRTR1
SCHEMBL8058230 0.87 HCRTR2 (0.45) HCRTR2HCRTR1GYS1
SCHEMBL8071983 0.87 HCRTR2 (0.45) HCRTR2HCRTR1GYS1
SCHEMBL13578445 0.87 HCRTR2 (0.45) HCRTR2HCRTR1GYS1
SCHEMBL13578446 0.87 HCRTR2 (0.45) HCRTR2HCRTR1GYS1
SCHEMBL13578438 0.87 HCRTR2 (0.45) HCRTR2HCRTR1GYS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HCRTR2 2341/4885HCRTR1 2509/4885GYS1 1912/4885

“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.