SCHEMBL16769764

SCHEMBL16769764

CN1CCOC(CCCO)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
SLC6A2 P23975 1/20 0.35
ACKR3 P25106 2/20 0.35
PDK1 Q15118 4/20 0.35
EPHX1 P07099 1/20 0.33
DRD4 P21917 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL15792164 0.89 HRH3 (0.38) HRH3SLC6A2ACKR3PDK1DRD4
SCHEMBL9935682 0.88 HRH3 (0.39) HRH3SLC6A2ACKR3PDK1EPHX1
Water SCHEMBL1358132 0.87 HRH3 (0.37) HRH3SLC6A2ACKR3PDK1DRD4
SCHEMBL9935790 0.84 HRH3 (0.41) HRH3SLC6A2ACKR3PDK1EPHX1
SCHEMBL23710267 0.83 EPHX1 (0.47) HRH3SLC6A2ACKR3PDK1EPHX1
SCHEMBL29156205 0.81 EPHX1 (0.55) HRH3SLC6A2EPHX1
Bromide SCHEMBL28105124 0.81 EPHX1 (0.46) HRH3SLC6A2ACKR3PDK1EPHX1
Hydrochloric Acid SCHEMBL28608172 0.81 EPHX1 (0.46) HRH3SLC6A2ACKR3PDK1EPHX1
Iodide SCHEMBL28167228 0.81 EPHX1 (0.46) HRH3SLC6A2ACKR3PDK1EPHX1
SCHEMBL1183098 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340538-B2 Dihydropyrimidine compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-05-17 US disclosed
US-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-04 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-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS DPYD, SLC10A1, HPRT1 HRH3 1555/4885SLC6A2 535/4885ACKR3 1897/4885

“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.