SCHEMBL4269340

SCHEMBL4269340

Nc1cccc(OCCC2CNCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOB P27338 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
HRH1 P35367 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL9814604 0.87 SLC6A4 (0.53) TSHRSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL3657046 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL11715425 0.83 MKNK1 (0.39) TSHRSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL11723198 0.81 MKNK1 (0.38) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL11722128 0.79 MKNK1 (0.39) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL11713407 0.78 SLC6A2 (0.38) TSHRSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL11721336 0.77 SLC6A2 (0.38) TSHRSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL7216614 0.77 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL11716518 0.77 NR4A1 (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL31381402 0.76 CYP3A4 (0.60) TSHRSLC6A2SLC6A4SLC6A3HTR2A

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-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-01-22 US disclosed
WO-2008116145-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-25 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-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 TSHR 2338/4885SLC6A2 2721/4885SLC6A4 3289/4885

“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.