SCHEMBL85053

SCHEMBL85053

Cc1ccc2onc(C3CCN(CC4(C(=O)O)CC4)CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.56
HTR7 P34969 4/20 0.56
KCNH2 Q12809 2/20 0.56
HTR1A P08908 2/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 2/20 0.48
HTR1F P30939 2/20 0.44
MAPT P10636 1/20 0.43
HRH1 P35367 3/20 0.42

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
SCHEMBL84564 0.85 DRD2 (0.52) HTR2AHTR7KCNH2HTR1ADRD2
SCHEMBL84999 0.82 HTR2A (0.64) HTR2AHTR7KCNH2HTR1ADRD2
SCHEMBL2734417 0.81 HTR2A (0.55) HTR2AHTR7DRD2MAPTHRH1
SCHEMBL85231 0.81 HTR2A (0.58) HTR2AHTR7KCNH2HTR1ADRD2
SCHEMBL85565 0.80 HTR2A (0.62) HTR2AHTR7KCNH2HTR1ADRD2
SCHEMBL3048513 0.79 KCNH2 (0.50) HTR2AHTR7KCNH2DRD2DRD3
SCHEMBL85015 0.78 DRD2 (0.65) HTR2AHTR7KCNH2HTR1ADRD2
SCHEMBL84567 0.77 HTR2A (0.55) HTR2AHTR7KCNH2HTR1ADRD2
SCHEMBL21633562 0.77 HTR2A (0.60) HTR2AHTR7KCNH2HTR1ADRD2
Fumaric Acid SCHEMBL10635152 0.76 HTR2A (0.55) HTR2AHTR7KCNH2HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129410-B2 Sleep maintenance insomnia; circadian rhythm abnormalities; side effect reduction HYPNION, INC. (US) 2012-03-06 US disclosed
US-8129410-B2 Sleep maintenance insomnia; circadian rhythm abnormalities; side effect reduction HYPNION, INC. (US) 2012-03-06 US disclosed
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof HYPNION, INC. 2008-09-04 US disclosed
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof HYPNION, INC. 2008-09-04 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-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof GABRA5, GABRE, HCRTR2 HTR2A 284/4885HTR7 82/4885KCNH2 965/4885

“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.