SCHEMBL10059280

SCHEMBL10059280

COC(=O)C(C)(C)CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.58
HTR2A P28223 12/20 0.57
HRH4 Q9H3N8 1/20 0.56
HRH1 P35367 7/20 0.55
DRD2 P14416 1/20 0.53

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
Ly2624803 SCHEMBL379812 0.88 HTR2C (0.73) HTR2CHTR2AHRH1DRD2
Ly2624803 SCHEMBL31208381 0.88 HTR2C (0.73) HTR2CHTR2AHRH1DRD2
SCHEMBL23242554 0.87 HTR2A (0.69) HTR2CHTR2AHRH1
SCHEMBL23242508 0.85 HTR2C (0.81) HTR2CHTR2AHRH1DRD2
SCHEMBL10194104 0.85 HTR2C (0.55) HTR2CHTR2AHRH4HRH1DRD2
SCHEMBL23242618 0.85 HTR2A (0.80) HTR2CHTR2AHRH1DRD2
SCHEMBL23242517 0.83 HTR2A (0.79) HTR2CHTR2AHRH4HRH1DRD2
SCHEMBL23242562 0.83 HTR2A (0.81) HTR2CHTR2AHRH4HRH1
SCHEMBL10194090 0.82 HTR2A (0.79) HTR2CHTR2AHRH1DRD2
SCHEMBL10194094 0.81 HTR2A (0.87) HTR2CHTR2AHRH4HRH1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804804-B1 3-[4-(DIBENZO[b,f][1,4]OXAZEPIN-11-YL)-PIPERAZIN-1-YL]-2,2-DIMETHYL PROPANOIC ACID FOR USE IN THE TREATMENT OF SLEEP DISORDERS HYPNION INC (US) 2012-01-25 EP disclosed
US-8101596-B2 Loxapine analogs and methods of use thereof HYPNION INC. (US) 2012-01-24 US disclosed
US-8101596-B2 Loxapine analogs and methods of use thereof HYPNION INC. (US) 2012-01-24 US disclosed
US-7592333-B2 Loxapine analogs and methods of use thereof HYPNION, INC. (US) 2009-09-22 US disclosed
US-7592333-B2 Loxapine analogs and methods of use thereof HYPNION, INC. (US) 2009-09-22 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 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-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF HCRTR2, HCRTR1, HTR3B HTR2C 4/4885HTR2A 9/4885HRH4 678/4885

“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.