SCHEMBL2602797

SCHEMBL2602797

[C-]#[N+]c1ccc(C2COCCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.46
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LTA4H P09960 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CNR2 P34972 2/20 0.39
TACR1 P25103 1/20 0.39
FUCA1 P04066 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
SCHEMBL537463 0.83 RORC (0.50) DRD4TMEM97SIGMAR1LTA4HDRD2
SCHEMBL537037 0.80 DRD2 (0.48) DRD4TMEM97SIGMAR1LTA4HCYP1A2
SCHEMBL2602802 0.78 GAA (0.52) DRD4LTA4HCYP2C9DRD2DRD3
SCHEMBL2602796 0.76 DRD4 (0.43) DRD4TMEM97SIGMAR1LTA4HCYP1A2
SCHEMBL537357 0.75 SLC2A1 (0.42) DRD4TMEM97SIGMAR1LTA4HCYP3A4
SCHEMBL537468 0.75 DRD4 (0.41) DRD4TMEM97SIGMAR1LTA4HCYP1A2
SCHEMBL6132849 0.73 DRD4 (0.51) DRD4SIGMAR1LTA4HCYP1A2CYP3A4
SCHEMBL13597304 0.73 ACHE (0.54) DRD4SIGMAR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6261135 0.71 SIGMAR1 (0.68) DRD4SIGMAR1HRH3
SCHEMBL13597305 0.70 DRD4 (0.49) DRD4SIGMAR1CYP1A2CYP3A4CYP2D6

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 2 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-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 DRD4 1511/4885TMEM97 2699/4885SIGMAR1 1613/4885

“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.