SCHEMBL1327166

SCHEMBL1327166

Nc1cnc2c(n1)OCCNC2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.33
MAP4K1 Q92918 1/20 0.30

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
SCHEMBL12979122 0.79 HTR2C (0.33) HTR2C
SCHEMBL17960192 0.76 SIRT6 (0.33)
SCHEMBL1326947 0.76 HTR2C (0.31) HTR2C
SCHEMBL9290582 0.75
SCHEMBL1325707 0.75 S1PR1 (0.33)
SCHEMBL9289485 0.75
SCHEMBL20915173 0.74 ALDH1A1 (0.36) HTR2C
Hydrochloric Acid SCHEMBL1326654 0.74 HTR2C (0.30) HTR2C
SCHEMBL9290073 0.74 KDM4E (0.34) HTR2C
Hydrochloric Acid SCHEMBL1326989 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115139-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
US-9115139-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
EP-2442870-B1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-04-16 EP disclosed
US-8324201-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-8324201-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-8324201-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-8318722-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318722-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318722-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8314088-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-20 US disclosed
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-24 US disclosed
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-24 US disclosed
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-24 US disclosed
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-17 US disclosed
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-17 US disclosed
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-17 US disclosed
WO-2010147226-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 WO disclosed
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-12-16 US disclosed
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-12-16 US disclosed
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-12-16 US 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 (3 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-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A HTR2C 1/4885MAP4K1 757/4885
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A HTR2C 1/4885MAP4K1 757/4885
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A HTR2C 1/4885MAP4K1 757/4885

“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.