SCHEMBL2602789

SCHEMBL2602789

c1ccc(C2CCOCCN2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNA7 P36544 2/20 0.40
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PRCP P42785 1/20 0.39
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
TACR1 P25103 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 SCHEMBL537239 0.98 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
SCHEMBL1333525 0.82 PRKACA (0.49) SLC6A2ADRA1AHTR2BSLC6A3SLC18A3
SCHEMBL14197971 0.82 PRCP (0.40) SLC6A2ADRA1AHTR2BSLC6A3CHRNB2
SCHEMBL1333528 0.82 PRKACA (0.49) SLC6A2ADRA1AHTR2BSLC6A3SLC18A3
SCHEMBL1335278 0.82 PRKACA (0.49) SLC6A2ADRA1AHTR2BSLC6A3SLC18A3
Hydrochloric Acid SCHEMBL1849039 0.81 PRKACA (0.48) SLC6A2ADRA1AHTR2BSLC6A3SLC18A3
SCHEMBL1413442 0.77 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7SLC18A3SIGMAR1
SCHEMBL172454 0.77 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7SLC18A3SIGMAR1
SCHEMBL30298452 0.77 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL2522634 0.76 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA7MEN1CYP2D6

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 SLC6A2 1529/4885ADRA1A 823/4885HTR2B 3386/4885

“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.