SCHEMBL2602806

SCHEMBL2602806

Cc1nc(-c2ccc(C3CCNCCO3)cc2)no1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
KCNH2 Q12809 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
PLK1 P53350 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
Hydrochloric Acid SCHEMBL537394 0.99 MAOA (0.49) MAOAMAOBDRD3DRD2KCNH2
SCHEMBL101781 0.88 MAOA (0.51) MAOAMAOBTAAR1
Hydrochloric Acid SCHEMBL136661 0.87 MAOA (0.50) MAOAMAOBTAAR1
SCHEMBL9906431 0.83 MAOA (0.47) MAOAMAOBDRD3DRD2KCNH2
SCHEMBL2602807 0.80 ACHE (0.46) MAOAMAOBKCNH2TAAR1
Hydrochloric Acid SCHEMBL537306 0.79 ACHE (0.44) MAOAMAOBKCNH2TAAR1
SCHEMBL101505 0.78 MAOA (0.45) MAOAMAOBDRD3DRD2KCNH2
SCHEMBL135495 0.76 CA12 (0.45) DRD3DRD2KCNH2CA12CA1
SCHEMBL28957458 0.74 MAOA (0.49) MAOAMAOBCA12CA1CA2
SCHEMBL13415301 0.72 L3MBTL1 (0.69) MAOAMAOBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 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 (1 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-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 MAOA 539/4885MAOB 523/4885DRD3 861/4885

“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.