SCHEMBL3719045

SCHEMBL3719045

N[C@@H](CCc1ccccc1)[C@@H](O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.48
METAP1 P53582 3/20 0.48
ANPEP P15144 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
ERAP2 Q6P179 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRIK1 P39086 1/20 0.41
FAAH O00519 4/20 0.40
CES1 P23141 3/20 0.40
MMP13 P45452 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
SCHEMBL3768499 1.00 METAP2 (0.48) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL5807580 0.91 GRIK1 (0.46) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL6556276 0.81 EPHX1 (0.48) ANPEPKDM4E
SCHEMBL10622532 0.81 EPHX1 (0.48) ANPEPKDM4E
Hydrochloric Acid SCHEMBL5711578 0.80 EPHX1 (0.47) ANPEPKDM4E
SCHEMBL5556350 0.79 ERAP1 (0.58) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL4311417 0.78 ANPEP (0.55) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL2508068 0.78 ANPEP (0.55) METAP2METAP1ANPEPERAP1ERAP2
SCHEMBL9668628 0.77 MMP13 (0.47) ANPEPERAP1ERAP2ALOX15TDP1
SCHEMBL7953179 0.77 ANPEP (0.47) ANPEPERAP1ERAP2KDM4EALOX15

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 5 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
US-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN-LA ROCHE, INC. 2010-12-09 US disclosed
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
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 METAP2 1040/4885METAP1 988/4885ANPEP 1415/4885

“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.