SCHEMBL1774022

SCHEMBL1774022

O=C1N=CCN1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL11748730 0.80 MEN1 (0.48) RAB9AMGLLALDH1A1TDP1MAPT
SCHEMBL30379703 0.72 MAPT (0.33) RAB9AALDH1A1TDP1LMNAMAPT
SCHEMBL30379453 0.72 LMNA (0.33) RAB9AALDH1A1TDP1LMNAMAPT
SCHEMBL19411282 0.69 MGLL (0.48) RAB9AMGLLALDH1A1TDP1LMNA
SCHEMBL12615119 0.65 RAB9A (0.51) RAB9AMGLLALDH1A1TDP1LMNA
SCHEMBL18805067 0.65 RAB9A (0.51) RAB9AMGLLALDH1A1TDP1LMNA
SCHEMBL6393683 0.64 MEN1 (0.39) RAB9AMGLLALDH1A1TDP1LMNA
SCHEMBL305860 0.64 ALDH1A1 (0.55) RAB9AMGLLALDH1A1TDP1LMNA
SCHEMBL21772762 0.63 RAB9A (0.38) RAB9AMGLLALDH1A1TDP1LMNA
SCHEMBL16786543 0.63 ALDH1A1 (0.52) RAB9AMGLLALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R RAB9A 2356/4885MGLL 1386/4885ALDH1A1 325/4885

“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.