SCHEMBL5533649

SCHEMBL5533649

CC(=O)N1CCOc2ccc(O)cc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.65
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
CASP6 P55212 1/20 0.50
PTPN11 Q06124 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
MEN1 O00255 1/20 0.47
PTGER3 P43115 1/20 0.46

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
SCHEMBL10274847 0.84 NOTUM (0.65) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL594255 0.83 NOTUM (0.63) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL395823 0.83 NOTUM (0.63) NOTUMPDE3BPDE3AKMT2APOLB
Hydrochloric Acid SCHEMBL398436 0.82 NOTUM (0.61) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL6985785 0.81 KMT2A (0.60) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL18737439 0.81 NOTUM (0.60) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL14771955 0.81 NOTUM (0.60) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL13165250 0.81 NOTUM (0.60) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL25386717 0.80 NOTUM (0.58) NOTUMPDE3BPDE3AKMT2APOLB
SCHEMBL6392940 0.80 NOTUM (0.58) NOTUMPDE3BPDE3AKMT2APOLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12605468-B2 Oxazine-based fluorophore compounds for nerve-specific imaging OREGON HEALTH & SCIENCE UNIVERSITY (US) 2026-04-21 US disclosed
US-20230148317-A1 OXAZINE-BASED FLUOROPHORE COMPOUNDS FOR NERVE-SPECIFIC IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-05-11 US disclosed
US-20230148317-A1 OXAZINE-BASED FLUOROPHORE COMPOUNDS FOR NERVE-SPECIFIC IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-05-11 US disclosed
EP-4093443-A1 OXAZINE-BASED FLUOROPHORE COMPOUNDS FOR NERVE-SPECIFIC IMAGING Oregon Health & Science University (US) 2022-11-30 EP disclosed
US-11492359-B2 Near-infrared nerve-sparing fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-11-08 US disclosed
CN-115279423-A Oxazine-based fluorophore compounds for neurospecific imaging 俄勒冈健康与科学大学 2022-11-01 CN disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 US disclosed
WO-2021150979-A1 OXAZINE-BASED FLUOROPHORE COMPOUNDS FOR NERVE-SPECIFIC IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-07-29 WO disclosed
EP-3833401-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION Oregon Health & Science University (US) 2021-06-16 EP disclosed
WO-2020033435-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-02-13 WO disclosed
WO-2020023911-A2 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-01-30 WO disclosed
CN-100349897-C Substituted amino isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV (BE) 2007-11-21 CN disclosed
EP-1492796-B1 SUBSTITUTED AMINO ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS. JANSSEN PHARMACEUTICA NV (BE) 2007-09-05 EP disclosed
US-7265103-B2 Substituted amino isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV. (BE) 2007-09-04 US disclosed
US-20050222125-A1 Substituted amino isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-06 US disclosed
CN-1642960-A Substituted amino isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV (BE) 2005-07-20 CN disclosed
EP-1492796-A1 SUBSTITUTED AMINO ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS. Janssen Pharmaceutica N.V. (BE) 2005-01-05 EP disclosed
WO-2003082878-A1 SUBSTITUTED AMINO ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS. JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 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 (6 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-11492359-B2 Near-infrared nerve-sparing fluorophores NTRK1, PMP22, GAP43 NOTUM 2857/4885PDE3B 1526/4885PDE3A 846/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 NOTUM 2200/4885PDE3B 2517/4885PDE3A 2348/4885
US-20230148317-A1 OXAZINE-BASED FLUOROPHORE COMPOUNDS FOR NERVE-SPECIFIC IMAGING GAP43, NTRK1, CHAT NOTUM 2873/4885PDE3B 2705/4885PDE3A 2146/4885
US-12605468-B2 Oxazine-based fluorophore compounds for nerve-specific imaging CHRNB2, CHRNB3, CHRNB4 NOTUM 4151/4885PDE3B 2729/4885PDE3A 2280/4885
US-20050222125-A1 Substituted amino isoxazoline derivatives and their use as anti-depressants HTR2C, HTR7, HTR1A NOTUM 4497/4885PDE3B 831/4885PDE3A 1042/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 NOTUM 2998/4885PDE3B 1084/4885PDE3A 710/4885

“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.