SCHEMBL85000

SCHEMBL85000

CC(C)(CN1CCC(c2noc3ccc(F)cc23)CC1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.61
DRD3 P35462 4/20 0.61
HTR7 P34969 3/20 0.58
SCD O00767 1/20 0.54
DRD2 P14416 3/20 0.54
KCNH2 Q12809 2/20 0.54
SLC6A4 P31645 1/20 0.53
HTT P42858 1/20 0.52
ACHE P22303 2/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL85231 0.89 HTR2A (0.58) HTR2ADRD3HTR7DRD2KCNH2
SCHEMBL84574 0.87 DRD2 (0.60) HTR2ADRD3HTR7SCDDRD2
SCHEMBL85045 0.86 HTR2A (0.52) HTR2ADRD3HTR7DRD2KCNH2
SCHEMBL85223 0.85 DRD2 (0.55) HTR2AHTR7DRD2KCNH2
SCHEMBL84998 0.84 HTR2A (0.48) HTR2ADRD3HTR7DRD2KCNH2
SCHEMBL84565 0.83 HTR2A (0.61) HTR2ADRD3HTR7DRD2KCNH2
SCHEMBL8853747 0.82 HTR2A (0.64) HTR2ADRD3HTR7SCDDRD2
SCHEMBL2733199 0.81 HTR2A (0.55) HTR2AHTR7DRD2KCNH2
SCHEMBL10637192 0.79 HTT (0.61) HTR2ADRD3HTR7SCDHTT
Fumaric Acid SCHEMBL1545387 0.79 HTR2A (0.60) HTR2ADRD3HTR7DRD2KCNH2

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 284/4885DRD3 994/4885HTR7 82/4885

“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.