SCHEMBL2602801

SCHEMBL2602801

c1noc(-c2ccc(C3CNCCOC3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.32
SYK P43405 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR3A P46098 1/20 0.32
NOTUM Q6P988 1/20 0.31

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 SCHEMBL2119142 0.99 KDR (0.32) KDRSYKKCNH2HTR3ANOTUM
SCHEMBL2605982 0.78
Hydrochloric Acid SCHEMBL2117050 0.73 LRRK2 (0.32) HTR3A
SCHEMBL2602794 0.72 HTR3A (0.40) HTR3A
SCHEMBL23891993 0.72 SLC18A3 (0.47) KCNH2HTR3A
Hydrochloric Acid SCHEMBL537579 0.71 HTR3A (0.39) HTR3A
Hydrochloric Acid SCHEMBL537578 0.71 HTR3A (0.39) HTR3A
SCHEMBL2115281 0.70 DRD2 (0.41) HTR3A
SCHEMBL537667 0.70 DRD2 (0.41) HTR3A
SCHEMBL2602791 0.69 HTR3A (0.37) HTR3A

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 KDR 2833/4885SYK 729/4885KCNH2 1183/4885

“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.