SCHEMBL13728952

SCHEMBL13728952

c1ccc(OCCOC2(c3ccccc3)CNCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.41
ADRA1D P25100 10/20 0.40
ADRA1A P35348 10/20 0.39
ADRA1B P35368 9/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
KCNA3 P22001 1/20 0.36

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
SCHEMBL27681390 0.80 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL27543728 0.75 HTR2A (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL13728947 0.72 SLC6A2 (0.36) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL10880376 0.70 OPRM1 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL28498257 0.68 SLC6A2 (0.37) HTR1AADRA1DADRA1AADRA1BSLC6A2
SCHEMBL1697028 0.67 SLC6A2 (0.43) HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10877236 0.66 SLC6A2 (0.44) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13734320 0.66 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL977558 0.66 HTR2A (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL27962 0.64 KCNA3 (0.82) KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10098352-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2018-10-16 US disclosed
US-20160330960-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-11-17 US disclosed
US-9439434-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-09-13 US disclosed
US-20140155261-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-06-05 US disclosed
EP-2704578-A2 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF Inscent, Inc. (US) 2014-03-12 EP disclosed
WO-2012151556-A2 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2012-11-08 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 (3 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-20160330960-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 HTR1A 1116/4885ADRA1D 1634/4885ADRA1A 2478/4885
US-10098352-B2 Honeybee repellents and uses thereof ACHE, AHNAK, L3MBTL3 HTR1A 1116/4885ADRA1D 1634/4885ADRA1A 2478/4885
US-20140155261-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 HTR1A 1116/4885ADRA1D 1634/4885ADRA1A 2478/4885

“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.