SCHEMBL21189126

SCHEMBL21189126

C[C@@H](O)C/C=C/c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.66
PAM P19021 1/20 0.48
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
TSHR P16473 1/20 0.44
IDO1 P14902 2/20 0.44
AHR P35869 1/20 0.43
CTSC P53634 1/20 0.41
CNR2 P34972 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL19604562 1.00 HTR2A (0.66) HTR2APAMGRIK1GRIK2TSHR
SCHEMBL5475692 1.00 HTR2A (0.66) HTR2APAMGRIK1GRIK2TSHR
SCHEMBL5475689 1.00 HTR2A (0.66) HTR2APAMGRIK1GRIK2TSHR
SCHEMBL2170349 0.83 HTR2A (0.70) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL4029905 0.83 HTR2A (0.59) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL107851 0.83 HTR2A (0.70) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL14037582 0.83 HTR2A (0.70) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL107852 0.83 HTR2A (0.70) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL7903419 0.83 HTR2A (0.59) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL25189137 0.80 HTR2A (0.61) HTR2APAMGRIK1GRIK2IDO1

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-20190225573-A1 VINYLOGOUS PHENETHYLAMINES AS NEUROTRANSMITTER RELEASERS RES TRIANGLE INST (US) 2019-07-25 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-20190225573-A1 VINYLOGOUS PHENETHYLAMINES AS NEUROTRANSMITTER RELEASERS SLC18A2, SLC6A2, SLC18A3 HTR2A 10/4885PAM 1537/4885GRIK1 856/4885

“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.