SCHEMBL21172138

SCHEMBL21172138

NCC/C=C1/c2ccccc2COc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.68
HRH1 P35367 4/20 0.68
KCNH2 Q12809 2/20 0.68
ALDH1A1 P00352 2/20 0.68
LMNA P02545 2/20 0.68
SLC22A1 O15245 1/20 0.68
CHRM2 P08172 1/20 0.68
CHRM4 P08173 1/20 0.68
HTR1A P08908 1/20 0.68
CHRM5 P08912 1/20 0.68
ADRA2A P08913 1/20 0.68
CHRM1 P11229 1/20 0.68
DRD2 P14416 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
CHRM3 P20309 1/20 0.68
DRD1 P21728 1/20 0.68
DRD4 P21917 1/20 0.68
DRD5 P21918 1/20 0.68
SLC6A2 P23975 1/20 0.68

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
SCHEMBL1695230 1.00 HTR2B (0.68) HTR2BHRH1KCNH2ALDH1A1LMNA
SCHEMBL10533259 0.91 HTR2B (0.64) HTR2BHRH1KCNH2ALDH1A1LMNA
SCHEMBL17239374 0.84 HTR2B (0.68) HTR2BHRH1KCNH2ALDH1A1LMNA
SCHEMBL13808724 0.84 HTR2B (0.68) HTR2BHRH1KCNH2ALDH1A1LMNA
SCHEMBL13051513 0.84 HTR2B (0.68) HTR2BHRH1KCNH2ALDH1A1LMNA
SCHEMBL1539316 0.84 HTR2B (0.68) HTR2BHRH1KCNH2ALDH1A1LMNA
SCHEMBL17239375 0.84 HTR2B (0.68) HTR2BHRH1KCNH2ALDH1A1LMNA
SCHEMBL652161 0.84 HTR2B (0.68) HTR2BHRH1KCNH2ALDH1A1LMNA
SCHEMBL1539184 0.84 HTR2B (0.68) HTR2BHRH1KCNH2ALDH1A1LMNA
SCHEMBL652162 0.84 HTR2B (0.68) HTR2BHRH1KCNH2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190216766-A1 Methods Of Using Low-Dose Doxepin For The Improvement Of Sleep WILMINGTON SAVINGS FUND SOCIETY, FSB 2019-07-18 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-20190216766-A1 Methods Of Using Low-Dose Doxepin For The Improvement Of Sleep PER2, BCHE, MTNR1A HTR2B 558/4885HRH1 436/4885KCNH2 2152/4885

“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.