SCHEMBL16897912

SCHEMBL16897912

O=C(CN1CCN(CCO)CC1)n1ccc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ NOTUM Q6P988 1/20 0.46
▸ TSHR P16473 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ SLC6A4 P31645 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
SCHEMBL16897910 0.81 NOTUM (0.48) NOTUMTSHRL3MBTL1RAB9AKCNH2
SCHEMBL16897931 0.78 KMT2A (0.52) ALDH1A1TSHRL3MBTL1DRD2DRD3
SCHEMBL12123607 0.76 SIGMAR1 (0.54) ALDH1A1NOTUMTSHRL3MBTL1RAB9A
SCHEMBL15601773 0.74 ALDH1A1 (0.52) ALDH1A1NOTUMKMT2AMEN1MAPK1
SCHEMBL25937249 0.72 NOTUM (0.61) NOTUMTSHRL3MBTL1RAB9ASLC6A4
Hydrochloric Acid SCHEMBL25430303 0.71 NOTUM (0.59) NOTUMTSHRL3MBTL1RAB9ASLC6A4
SCHEMBL10837613 0.71 NOTUM (0.59) NOTUMTSHRL3MBTL1RAB9ACYP3A4
SCHEMBL2997057 0.71 NOTUM (0.65) NOTUMTSHRL3MBTL1RAB9AHTR3E
SCHEMBL30452280 0.71 NOTUM (0.65) NOTUMTSHRL3MBTL1RAB9AHTR3E
SCHEMBL17156567 0.69 CYP3A4 (0.46) TSHRDRD3KCNH2CYP3A4CYP2D6

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 ALDH1A1 263/4885NOTUM 3808/4885TSHR 2505/4885
US-10611741-B2 Substituted benzoxazine and related compounds ABCG2, XDH, CYP3A5 ALDH1A1 367/4885NOTUM 2588/4885TSHR 3319/4885
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS CYP4B1, XDH, UGT2B7 ALDH1A1 263/4885NOTUM 3808/4885TSHR 2505/4885
US-10087151-B2 Substituted benzoxazine and related compounds CYP4B1, XDH, UGT2B7 ALDH1A1 263/4885NOTUM 3808/4885TSHR 2505/4885

“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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