SCHEMBL2602807

SCHEMBL2602807

Cc1noc(-c2ccc(C3CCNCCO3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
USP7 Q93009 1/20 0.43
TAAR1 Q96RJ0 3/20 0.41
KCNH2 Q12809 2/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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 SCHEMBL537306 0.99 ACHE (0.44) ACHEUSP7TAAR1KCNH2LMNA
SCHEMBL8061783 0.90 ACHE (0.48) ACHETAAR1
Hydrochloric Acid SCHEMBL917850 0.88 ACHE (0.47) ACHETAAR1
SCHEMBL12943044 0.83 ACHE (0.49) ACHELMNATHRB
SCHEMBL2602806 0.80 MAOA (0.50) TAAR1KCNH2MAOAMAOB
Hydrochloric Acid SCHEMBL537394 0.79 MAOA (0.49) TAAR1KCNH2MAOAMAOB
SCHEMBL2602803 0.73
SCHEMBL13415305 0.72 ACHE (0.80) ACHELMNATHRB
Hydrochloric Acid SCHEMBL537399 0.71
SCHEMBL2117155 0.71 OGA (0.41) ACHEKCNH2

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 4 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

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 ACHE 918/4885USP7 2859/4885TAAR1 813/4885

“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.