SCHEMBL3715946

SCHEMBL3715946

NC[C@H](O)CCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
HTR2A P28223 2/20 0.50
TRPA1 O75762 1/20 0.50
GRIK1 P39086 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP2A6 P11509 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
HTR3A P46098 1/20 0.46
MAOB P27338 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
IDO1 P14902 1/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL3715878 1.00 MAOA (0.52) MAOAHTR2ATRPA1GRIK1SMN1; SMN2
SCHEMBL11120194 0.92 TRPA1 (0.59) MAOAHTR2ATRPA1MAOBTRPV1
SCHEMBL5678156 0.88 HTR2A (0.50) MAOAHTR2ASMN1; SMN2CYP2A6TAAR1
SCHEMBL8787515 0.88 HTR2A (0.50) MAOAHTR2ASMN1; SMN2CYP2A6TAAR1
SCHEMBL456443 0.88 HTR2A (0.50) MAOAHTR2ASMN1; SMN2CYP2A6TAAR1
SCHEMBL5833581 0.87 TRPA1 (0.56) MAOAHTR2ATRPA1GRIK1SMN1; SMN2
SCHEMBL6677440 0.86 MAOA (0.55) MAOAHTR2ATRPA1GRIK1SMN1; SMN2
SCHEMBL2921490 0.83 TRPA1 (0.53) MAOATRPA1GRIK1SMN1; SMN2TRPV1
Hydrochloric Acid SCHEMBL8852295 0.82 TRPA1 (0.51) TRPA1GRIK1SMN1; SMN2MAOBTRPV1
SCHEMBL11549188 0.82 TRPA1 (0.51) MAOATRPA1GRIK1SMN1; SMN2HTR3A

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-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN-LA ROCHE, INC. 2010-12-09 US disclosed
WO-2010139707-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-09 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-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R MAOA 105/4885HTR2A 15/4885TRPA1 276/4885

“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.