SCHEMBL16897910

SCHEMBL16897910

CC(C)N1CCN(CC(=O)n2ccc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.48
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAOB P27338 4/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ RAD52 P43351 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL16897912 0.81 ALDH1A1 (0.47) NOTUMTSHRRAB9AL3MBTL1RAD52
SCHEMBL16897887 0.76 KMT2A (0.52) L3MBTL1RAD52CYP3A4KMT2AKDM4E
SCHEMBL2997057 0.72 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1CYP3A4
SCHEMBL30452280 0.72 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1CYP3A4
SCHEMBL23282456 0.72 NOTUM (0.56) NOTUMTSHRRAB9AL3MBTL1CYP3A4
SCHEMBL25937249 0.70 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL3762814 0.69 MAPT (0.78) TSHRKMT2AKDM4E
SCHEMBL6665481 0.69 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1CYP3A4
SCHEMBL31470926 0.69 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1CYP3A4
SCHEMBL30452423 0.69 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1KMT2A

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 13 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
EP-3091984-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-11-16 — — EP 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
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 NOTUM 3808/4885TSHR 2505/4885RAB9A 2385/4885
US-10611741-B2 Substituted benzoxazine and related compounds ABCG2, XDH, CYP3A5 NOTUM 2588/4885TSHR 3319/4885RAB9A 3501/4885
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS CYP4B1, XDH, UGT2B7 NOTUM 3808/4885TSHR 2505/4885RAB9A 2385/4885
US-10087151-B2 Substituted benzoxazine and related compounds CYP4B1, XDH, UGT2B7 NOTUM 3808/4885TSHR 2505/4885RAB9A 2385/4885

“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.

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