SCHEMBL16897887

SCHEMBL16897887

CC(C)N1CCN(C(=O)Cn2ccc3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.48
▸ NTSR1 P30989 1/20 0.47
▸ CXCR3 P49682 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ USP2 O75604 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42

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
SCHEMBL12605568 0.85 KMT2A (0.56) KMT2AKDM4ECXCR3MAPK1CYP3A4
SCHEMBL3589774 0.80 GRIN2B (0.53) CYP2C19KCNH2
SCHEMBL12605547 0.80 GRIN2B (0.57) KMT2AKDM4EMAPK1CYP3A4CYP2C19
SCHEMBL16897931 0.79 KMT2A (0.52) KMT2AKDM4ECXCR3RAD52MAPK1
SCHEMBL16897910 0.76 NOTUM (0.48) KMT2AKDM4ERAD52CYP3A4KCNH2
SCHEMBL24814484 0.74 KMT2A (0.65) KMT2AKDM4ENTSR1RAD52MAPK1
SCHEMBL31672359 0.72 KRAS (0.46) KMT2AKDM4ECXCR3HRH3OPRD1
SCHEMBL16117855 0.72 KRAS (0.46) KMT2AKDM4ECXCR3HRH3OPRD1
SCHEMBL9701534 0.72 KMT2A (0.71) KMT2ANTSR1MAPK1CYP3A4CYP2C19
SCHEMBL30074152 0.72 KMT2A (0.71) KMT2ANTSR1MAPK1CYP3A4CYP2C19

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 KMT2A 2235/4885KDM4E 2233/4885NTSR1 3505/4885
US-10611741-B2 Substituted benzoxazine and related compounds ABCG2, XDH, CYP3A5 KMT2A 2162/4885KDM4E 1738/4885NTSR1 4352/4885
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS CYP4B1, XDH, UGT2B7 KMT2A 2235/4885KDM4E 2233/4885NTSR1 3505/4885
US-10087151-B2 Substituted benzoxazine and related compounds CYP4B1, XDH, UGT2B7 KMT2A 2235/4885KDM4E 2233/4885NTSR1 3505/4885

“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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