SCHEMBL3453495

SCHEMBL3453495

O=c1oc(NC2CCNCC2)nc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.78
CYP1A2 P05177 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
ALDH1A1 P00352 4/20 0.49
CYP2D6 P10635 1/20 0.49
C1R P00736 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL3453992 0.91 ELANE (0.86) ELANEALDH1A1C1RNPC1RAB9A
SCHEMBL3577272 0.81 OPRK1 (0.53) ELANECYP1A2CLK4ALDH1A1NPC1
Bromide SCHEMBL3570691 0.80 OPRK1 (0.52) ELANECYP1A2CLK4ALDH1A1NPC1
SCHEMBL1121774 0.79 CYP1A2 (0.50) ELANECYP1A2CLK4ALDH1A1CYP2D6
SCHEMBL3577759 0.78 ELANE (0.49) ELANECYP1A2CLK4ALDH1A1CYP2D6
SCHEMBL1121299 0.77 ELANE (0.47) ELANECYP1A2CLK4ALDH1A1CYP2D6
SCHEMBL4593453 0.77 ELANE (0.50) ELANECYP1A2CLK4ALDH1A1CYP2D6
Bromide SCHEMBL1121690 0.76 ELANE (0.49) ELANECYP1A2CLK4ALDH1A1CYP2D6
SCHEMBL13543049 0.75 SSTR5 (0.48) ELANECYP1A2CLK4ALDH1A1CYP2D6
SCHEMBL30169423 0.75 KDM4E (0.52) CYP1A2CLK4ALDH1A1CYP2D6NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144395-B1 2-AMINO-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY ALIZYME THERAPEUTICS LTD (GB) 2005-04-20 EP claimed
US-6656934-B2 Enzyme inhibitor ALIZYME THERAPEUTICS LIMITED (GB) 2003-12-02 US claimed
US-20030191123-A1 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2003-10-09 US claimed
US-20030013707-A1 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2003-01-16 US claimed
US-7776853-B2 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2010-08-17 US disclosed
US-7776853-B2 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2010-08-17 US disclosed
US-7776853-B2 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2010-08-17 US disclosed
US-6656934-B2 Enzyme inhibitor ALIZYME THERAPEUTICS LIMITED (GB) 2003-12-02 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 (2 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-20030191123-A1 2-amino-benzoxazinone derivatives for the treatment of obesity CYP4X1, CYP2B6, BBOX1 ELANE 730/4885CYP1A2 28/4885CLK4 2792/4885
US-20030013707-A1 2-amino-benzoxazinone derivatives for the treatment of obesity CYP4X1, CYP2B6, BBOX1 ELANE 730/4885CYP1A2 28/4885CLK4 2792/4885

“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.