SCHEMBL21113145

SCHEMBL21113145

CCc1ccc(CCC2CCC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CEL P19835 2/20 0.37
DAO P14920 1/20 0.35
BACE1 P56817 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL21115181 0.82 SLC6A2 (0.35) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL8963028 0.81 HTR2A (0.34) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL9300289 0.81 HTR2A (0.34) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL12739701 0.80 CYP2C9 (0.35) HTR2AHTR2C
SCHEMBL12739694 0.79 OPRL1 (0.34) HTR2AHTR2C
SCHEMBL10302154 0.78 OPRL1 (0.33) HTR2AHTR2CMAOBMAOA
SCHEMBL10586080 0.78 CEL (0.43) CELDAO
SCHEMBL10708166 0.78 S1PR1 (0.41) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL10708160 0.78 S1PR1 (0.41) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL7762384 0.77 S1PR1 (0.41) HTR2AHTR2CSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502099-B1 CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR MEDSHINE DISCOVERY INC (CN) 2020-12-09 EP disclosed
US-20190210975-A1 CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2019-07-11 US disclosed
EP-3502099-A1 CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR Medshine Discovery Inc. (CN) 2019-06-26 EP 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-20190210975-A1 CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR PDE4A, PDE4B, PDE5A HTR2A 3711/4885HTR2C 3518/4885SLC6A2 394/4885

“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.