SCHEMBL2114930

SCHEMBL2114930

Cc1nc(-c2ccc(C3CCN(C(C)c4ccccc4)CCO3)cc2)no1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
KCNH2 Q12809 1/20 0.42
LTA4H P09960 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2D6 P10635 1/20 0.38
BRD4 O60885 2/20 0.38
P2RX3 P56373 5/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2119686 1.00 DRD3 (0.42) DRD3DRD2KCNH2LTA4HCYP3A4
SCHEMBL101657 0.91 DRD3 (0.47) DRD3DRD2KCNH2LTA4HCYP3A4
SCHEMBL135512 0.91 DRD3 (0.47) DRD3DRD2KCNH2LTA4HCYP3A4
SCHEMBL2117155 0.84 OGA (0.41) KCNH2LTA4HCYP2D6BRD4
Hydrochloric Acid SCHEMBL2115520 0.81 DRD3 (0.32) DRD3DRD2KCNH2LTA4H
SCHEMBL2605879 0.81 CYP2D6 (0.49) LTA4HCYP2D6SMN1; SMN2LMNAHTT
SCHEMBL2602809 0.81 CYP2D6 (0.54) DRD3LTA4HCYP3A4CYP2C19CYP2D6
SCHEMBL2115070 0.78 CYP2D6 (0.47) LTA4HCYP2D6
SCHEMBL2119158 0.77 LTA4H (0.49) LTA4HCYP3A4CYP2C19CYP2D6LMNA
SCHEMBL2116698 0.75 LTA4H (0.47) KCNH2LTA4HCYP3A4CYP2C19CYP2D6

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 DRD3 861/4885DRD2 1435/4885KCNH2 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.