SCHEMBL85045

SCHEMBL85045

COc1ccc2onc(C3CCN(CC(C)(C)C(=O)O)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.52
HTR1A P08908 1/20 0.52
ACHE P22303 1/20 0.47
DRD3 P35462 4/20 0.46
HTR7 P34969 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR2C P28335 6/20 0.46
DRD2 P14416 5/20 0.46

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 0.88 HTR2A (0.58) HTR2AHTR1AACHEDRD3HTR7
SCHEMBL84571 0.87 HTR2A (0.54) HTR2AHTR1AACHEDRD3HTR2C
SCHEMBL85000 0.86 HTR2A (0.61) HTR2AACHEDRD3HTR7KCNH2
SCHEMBL85223 0.83 DRD2 (0.55) HTR2AHTR1AHTR7KCNH2HTR2C
SCHEMBL84998 0.82 HTR2A (0.48) HTR2ADRD3HTR7KCNH2HTR2C
SCHEMBL2733574 0.82 HTR2C (0.53) HTR2ADRD3HTR2CDRD2
SCHEMBL84565 0.81 HTR2A (0.61) HTR2AHTR1AACHEDRD3HTR7
SCHEMBL1835884 0.80 HTR1A (0.51) HTR2AHTR1A
SCHEMBL84567 0.75 HTR2A (0.55) HTR2AHTR1AACHEDRD3HTR7
SCHEMBL85011 0.73 DRD2 (0.58) HTR2AHTR1AHTR7KCNH2DRD2

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 284/4885HTR1A 278/4885ACHE 546/4885

“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.