SCHEMBL449674

SCHEMBL449674

[CH]=CCCC1COc2ccccc2O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
CA2 P00918 3/20 0.51
ADRA2A P08913 2/20 0.49
ADRA1A P35348 2/20 0.49
HTR1A P08908 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
DRD3 P35462 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL450727 0.90 HTT (0.54) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL450382 0.89 HTT (0.52) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL451672 0.83 ADRA2A (0.51) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL9111380 0.80 HTT (0.52) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL9111387 0.80 HTT (0.52) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL12309752 0.77 POLB (0.62) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL5871673 0.77 HTT (0.61) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL1568393 0.77 HTT (0.66) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL406531 0.77 HTT (0.61) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL8788249 0.77 HTT (0.61) HTTCA2ADRA2AADRA1AHTR1A

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-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH HTT 2011/4885CA2 1663/4885ADRA2A 265/4885

“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.