SCHEMBL16907792

SCHEMBL16907792

O=C(CN1CCN(CCO)CC1)N1CCSc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.67
NOTUM Q6P988 1/20 0.55
KDM4E B2RXH2 1/20 0.49
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL16907790 0.84 DRD4 (0.66) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL16907793 0.80 MAPT (0.69) DRD4NOTUMKDM4EPOLBMAPT
SCHEMBL25937664 0.76 NOTUM (0.65) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL19888977 0.76 NOTUM (0.65) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL15524285 0.73 NOTUM (0.73) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL7528285 0.71 MAPT (0.50) NOTUMKDM4EPOLBMAPTTP53
SCHEMBL6224256 0.71 NOTUM (0.71) DRD4NOTUMKDM4EPOLBL3MBTL1
Hydrochloric Acid SCHEMBL27871154 0.70 NOTUM (0.69) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL7413168 0.70 DRD4 (0.59) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL12341035 0.69 DRD4 (0.56) DRD4NOTUMKDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091984-B1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2020-04-22 EP disclosed
EP-3091984-B1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2020-04-22 EP disclosed
US-10611741-B2 Substituted benzoxazine and related compounds THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2020-04-07 US disclosed
US-10611741-B2 Substituted benzoxazine and related compounds THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2020-04-07 US disclosed
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS NANOSYN INC. 2019-04-11 US disclosed
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS NANOSYN INC. 2019-04-11 US disclosed
US-10087151-B2 Substituted benzoxazine and related compounds THE J. DAVID GLADSTONE INSTITUTES, A TESTIMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2018-10-02 US disclosed
US-20160326123-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad (US) 2016-11-10 US disclosed
US-20160326123-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad (US) 2016-11-10 US disclosed
US-20160326123-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad (US) 2016-11-10 US disclosed
WO-2015106025-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-07-16 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 (4 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-20160326123-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS CYP4B1, XDH, UGT2B7 DRD4 1781/4885NOTUM 3808/4885KDM4E 2233/4885
US-10611741-B2 Substituted benzoxazine and related compounds ABCG2, XDH, CYP3A5 DRD4 1494/4885NOTUM 2588/4885KDM4E 1738/4885
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS CYP4B1, XDH, UGT2B7 DRD4 1781/4885NOTUM 3808/4885KDM4E 2233/4885
US-10087151-B2 Substituted benzoxazine and related compounds CYP4B1, XDH, UGT2B7 DRD4 1781/4885NOTUM 3808/4885KDM4E 2233/4885

“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.